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Journal articles on the topic 'Interstitial doping of C and N'

Author: Grafiati

Published: 28 June 2021

Last updated: 2 February 2022

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1

Piątkowska, Aleksandra, Magdalena Janus, Kacper Szymański, and Sylwia Mozia. "C-,N- and S-Doped TiO2 Photocatalysts: A Review." Catalysts 11, no. 1 (January 19, 2021): 144. http://dx.doi.org/10.3390/catal11010144.

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This article presents an overview of the reports on the doping of TiO2 with carbon, nitrogen, and sulfur, including single, co-, and tri-doping. A comparison of the properties of the photocatalysts synthesized from various precursors of TiO2 and C, N, or S dopants is summarized. Selected methods of synthesis of the non-metal doped TiO2 are also described. Furthermore, the influence of the preparation conditions on the doping mode (interstitial or substitutional) with reference to various types of the modified TiO2 is summarized. The mechanisms of photocatalysis for the different modes of the non-metal doping are also discussed. Moreover, selected applications of the non-metal doped TiO2 photocatalysts are shown, including the removal of organic compounds from water/wastewater, air purification, production of hydrogen, lithium storage, inactivation of bacteria, or carbon dioxide reduction.

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2

Kosaka, Hisashi, Yasuyuki Kaneno, and Takayuki Takasugi. "Ductilization of a Ni₃(Si,Ti) Intermetallic Alloy by Addition of Interstitial Type Elements." Advanced Materials Research 409 (November 2011): 321–26. http://dx.doi.org/10.4028/www.scientific.net/amr.409.321.

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The effect of a concomitant doping of interstitial type elements boron (B) and carbon (C), and boron (B) and nitrogen (N) on tensile properties of a Ni3(Si,Ti) intermetallic alloy was investigated in the temperature range between room temperature and 973 K. It was found that the concomitant doping of (C/B) and (N/B) remarkably improved the intermediate-temperature tensile elongation of the Ni3(Si,Ti) alloy compared with the simple doping of B or C. It was also shown that the fracture surface of the alloy doped with (C/B) and (N/B) exhibited the ductile transgranular fracture mode while that of the alloy doped with only B showed a brittle intergranular fracture mode at 773 K. These results clearly indicate that the concomitant doping of the interstitial type elements are useful for improving the intermediate-temperature tensile ductility of the Ni3(Si,Ti) alloy.

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3

Xiao, Qi, and Chi Yao. "Visible Light Photocatalytic Activity of C, N, S-Tridoped Anatase TiO₂ Nanosheets." Advanced Materials Research 391-392 (December 2011): 1117–22. http://dx.doi.org/10.4028/www.scientific.net/amr.391-392.1117.

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The C, N, S-tridoped TiO2nanosheets are synthesized via hydrothermal synthesis and post-treatment, and characterized by X-ray diffraction (XRD), Transmission electron microscopy (TEM), X-ray photoelectron spectra (XPS), and UV–vis diffuse reflectance spectroscopy. The UV-diffuse reflectance spectra of all the C, N, S-tridoped TiO2nanosheets greatly extends the absorption edge into the visible light region, which can be attributed to C, N, S-tridoping in the form of cation C-doping, interstitial N-doping, anionic S-doping, and adsorbed SO42-ions states. The C, N, S-tridoped TiO2nanosheets exhibits high visible light photocatalytic activity, and the xanthate concentration reduce as much as 100% in 120 min. All these indicate that C, N, S-tridoped TiO2nanosheets photocatalysts are promising visible light photocatalyst for the practical application.

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4

Kurokawa, Mao, Takao Shimizu, Mutsuo Uehara, Atsuo Katagiri, Kensuke Akiyama, Masaaki Matsushima, Hiroshi Uchida, Yoshisato Kimura, and Hiroshi Funakubo. "Control ofp- andn-type Conduction in Thermoelectric Non-doped Mg2Si Thin Films Prepared by Sputtering Method." MRS Advances 3, no. 24 (2018): 1355–59. http://dx.doi.org/10.1557/adv.2018.150.

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ABSTRACTA method for controlling the conduction-type in Mg2Si films without doping is investigated. Mg2Si films exhibit p-type conduction after a post-heat treatment up to 500 °C in atmospheric He. However, covering the films with Mg ribbon during a subsequent heat treatment at 500 °C converts the conduction to n-type, demonstrating that the heat treatment atmosphere can control the conduction type. Based on the reported first principles calculations suggesting that interstitial Mg and Mg vacancies in Mg2Si are the origins of n-type and p-type conduction, respectively, the post-heat treatment in He induces Mg vacancies due to the evaporation of Mg from the film, resulting in p-type conduction. The subsequent heat treatment when the film is covered with Mg ribbon fills the Mg vacancies and the additional interstitial Mg is incorporated, resulting in n-type conduction. These observations differ from the reported data for heat treatment of stable n-type conduction in non-doped Mg2Si-sintered bodies and may realize a novel control method for the conduction type in Mg2Si films.

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5

Böhm, Michael C., Thomas Schedel-Niedrig, Hartmut Werner, Robert Schlögl, Joachim Schulte, and Johannes Schütt. "Electronic Structure of the C60 Fragment in Alkali- and Alkaline-earth-doped Fullerides." Zeitschrift für Naturforschung A 51, no. 4 (April 1, 1996): 283–98. http://dx.doi.org/10.1515/zna-1996-0408.

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Abstract The electronic structure of the C50 fragment in alkali-and alkaline-earth-doped fullerides is studied theoretically. With increasing metal-to-C 60 charge transfer (CT) the n electronic properties of the soccerball are changed. In the undoped solid and for not too high a concentration of doping atoms the hexagon-hexagon (6-6) bonds show sizeable double bond character while the hexagon-pentagon (6-5) bonds are essentially of single bond type. In systems with a high concentration of doping atoms this relative ordering is changed. Now the 6-5 bonds have partial double bond character and the 6-6 bonds are essentially single bonds. The high ability of the C 60 unit to accomodate excess electrons prevents any sizeable weakening of the overall n bonding in systems with up to 12 excess electrons on the soccerball. A crystal orbital (CO) formalism on the basis of an INDO (intermediate neglect of differential overlap) Hamiltonian has been employed to derive solid state results for potassium-and barium-doped C 60 fullerides. For both types of doping atoms an incomplete metal-to-C 60 CT is predicted. In the potassium-doped fullerides the magnitude of the CT depends on the interstitial site of the dopant. The solid state data have been supplemented by INDO and ab initio calculations on molecular C 60 , and C^, 2 , -. The calculated bondlength alternation in the neutral molecule is changed in C 6 ö~ where the length of the 6-6 bonds exceeds the length of the 6-5 bonds. The geometries of the three molecular species have been optimized with a 3-21 G* basis. The theoretically derived modification of the C 60 (7r) electronic structure as a function of the electron count is explained microscopically in the framework of two quantum statistics accessible for n electronic ensembles. In the 7r ensemble of the C W) fragment so-called hard core bosonic properties are maximized where the Pauli antisymmetry principle has the character of a hidden variable only. Here the electronic degrees of freedom are attenuated only by the Pauli exclusion principle. This behaviour leads to the changes in the ir electronic structure mentioned above.

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6

Lin, Licheng, Deen Gu, Yonghai Ma, Yatao Li, and Kai Yuan. "Facile Preparation of N/F Co-Doped Mesoporous TiO2 vis-Photocatalyst based on a Bi-Functional Template." Nano 15, no. 11 (November 2020): 2050144. http://dx.doi.org/10.1142/s1793292020501441.

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Developing nonmetal-doped mesoporous TiO2 is highly attractive for preparing semiconductor visible photocatalyst with high activities. Here, we prepare N/F co-doped mesoporous TiO2 with high vis-photocatalytic activities by a simple liquid phase deposition process followed by annealing in air using C[Formula: see text]TAB as a bi-functional template (forming mesoporous and providing dopants). N2 adsorption isotherms, low-angle X-ray diffraction (XRD) and transmission electron microscopy (TEM) indicate the formation of wormhole-like mesoporous structure. Wide-angle XRD and high-resolution TEM demonstrate the presence of anatase TiO2 mesopore wall. XPS analyses reveal that N is doped into TiO2 lattice in the forms of substitutional and interstitial N species, and that F is doped into the TiO2 lattice in the form of interstitial F. The mesopore-forming and doping mechanisms are thoroughly discussed based on the bi-function of C[Formula: see text]TAB template. Mesoporous structure results in a high BET surface area of TiO2. High-concentration nitrogen species in anatase lattice and mesoporous structure remarkably increase the visible absorption of TiO2. As a result, the reaction rate constant of MB degradation catalyzed by N/F co-doped mesoporous TiO2 photocatalysts is about 7 times that by P25.

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7

Lin, Yu-Hao, Chih-Huang Weng, Arun Lal Srivastav, Yao-Tung Lin, and Jing-Hua Tzeng. "Facile Synthesis and Characterization of N-Doped TiO2Photocatalyst and Its Visible-Light Activity for Photo-Oxidation of Ethylene." Journal of Nanomaterials 2015 (2015): 1–10. http://dx.doi.org/10.1155/2015/807394.

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A facile wet chemical method was adopted for preparing highly photoactive nitrogen doped TiO2(N-TiO2) powders with visible responsive capability, which could be achieved by the hydrolysis of titanium isopropoxide (TTIP) in the ammonium hydroxide precursor solution in various concentrations and then calcined at different temperatures. The N-TiO2powders were characterized, and the photocatalytic activity was evaluated for the photocatalytic oxidation of ethylene gas under visible light irradiation to optimize the synthesizing conditions of N-TiO2catalyst. The N-TiO2photocatalytic powders were calcined in a range of temperatures from 300 to 600°C and obviously found to have greater photocatalytic activities than commercial TiO2P25. The strong absorption in the visible light region could be ascribed to good crystallization and adapted sinter temperature of as prepared sample. XPS test demonstrated that the N was doped into TiO2lattice and made an interstitial formation (Ti-O-N), and N doping also retarded the phase transformation from anatase to rutile as well. The N-TiO2catalyst prepared with 150 mL ammonium hydroxide added and calcined at 500°C showed the best photocatalytic activity. The experimental results also proved the enhanced photoactivity of N-TiO2material depends on the synthesizing conditions.

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8

Shi, Jingming, Yu Lei, Naoyuki Hashimoto, and Shigehito Isobe. "Doping of Interstitials (H, He, C, N) in CrCoFeNi High Entropy Alloy: A DFT Study." MATERIALS TRANSACTIONS 61, no. 4 (April 1, 2020): 616–21. http://dx.doi.org/10.2320/matertrans.mt-mk2019009.

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9

Lin, Yao-Tung, Chih-Huang Weng, Hui-Jan Hsu, Yu-Hao Lin, and Ching-Chang Shiesh. "The Synergistic Effect of Nitrogen Dopant and Calcination Temperature on the Visible-Light-Induced Photoactivity of N-Doped TiO2." International Journal of Photoenergy 2013 (2013): 1–13. http://dx.doi.org/10.1155/2013/268723.

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The synergistic effect of nitrogen content and calcinations temperature on the N-doped TiO2catalysts prepared by sol-gel method was investigated. The phase and structure, chemical state, optical properties, and surface area/pore distribution of N-doped TiO2were characterized using X-ray diffraction spectrometer, high-resolution transmission electron microscope, X-ray photoelectron spectroscopy, UV-vis diffusion reflectance spectroscopy, and Brunauer-Emmett-Teller specific surface area. Finding showed that the photocatalytic activity of N-doped TiO2was greatly enhanced compared to pure TiO2under visible irradiation. N dopants could retard the transformation from anatase to rutile phase. Namely, N-doping effect is attributed to the anatase phase stabilization. The results showed nitrogen atoms were incorporated into the interstitial positions of the TiO2lattice. Ethylene was used to evaluate the photocatalytic activity of samples under visible-light illumination. The results suggested good anatase crystallization, smaller particle size, and larger surface are beneficial for photocatalytic activity of N-doped TiO2. The N-doped TiO2catalyst prepared with ammonia to titanium isopropoxide molar ratio of 2.0 and calcinated at 400°C showed the best photocatalytic ability.

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10

Gertsriken, D. S., V. F. Mazanko, D. V. Mironov, and S. Ye Bogdanov. "Formation of introduction solid solutions and phases under the conditions of ion bombardment of metals in the glow discharge." Metaloznavstvo ta obrobka metalìv 98, no. 2 (June 7, 2021): 3–13. http://dx.doi.org/10.15407/mom2021.02.003.

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Regularities of interaction of iron, steels, nickel, copper, titanium with light elements and inert gases in the plasma of the glow discharge studied by methods based on the use of radioactive indicators 55Fe, 44Ti, 14C, 13N, 85Kr, 41Ar (layer-by-layer radiometric analysis of residual integrated activity, macro- and microautoradiography, activation autoradiography), as well as metallography, X-ray analysis and spectral analysis. Processing was carried out according to the diode circuit with parameters of 1 - 55 hours, 0.2 - 2 kV, ~ 500 K. Neutral (argon, krypton) and saturating (nitrogen, ammonia, methane) media were used for processing in the discharge, and further processing of metals previously saturated with nitrogen or carbon was carried out in a neutral medium. It is established that in the process of introduction into metals (Fe, Ti) under the action of a glow discharge burning in a saturating medium, atoms soluble under equilibrium conditions of elements (N, C), there are interstitial solutions and phases that differ from those formed in isothermal annealing, only the presence of supersaturated solid solutions and some violation of the stoichiometry of carbides and nitrides, as well as a steeper decrease in the concentration of the alloying impurity with increasing distance from the surface. The shape of the concentration profiles outside the layer of the interstitial phase is described by an exponential dependence on the square of the penetration depth. As for the penetration into copper of nitrogen, carbon, argon or krypton atoms, insoluble under equilibrium conditions, in ion bombardment in appropriate media from the treated surface to the end of the diffusion zone there is only a solid solution with a concentration that decreases by the exponent. It turned out that further treatment of nickel, iron and steel saturated with light elements by argon and krypton ion bombardment leads to redistribution of alloying impurities, separation of interstitial phases mainly at grain boundaries, surface or at some distance from the surface, which contributes to some disturbance of concentration profile. When processing pre-saturated copper interstitial phases do not occur, but the type of profile changes dramatically, but from the maximum to the end of the diffusion zone is described by the exponent. It is shown that the use of saturating and neutral media, as well as their sequential application for processing in the glow discharge makes it possible to create predetermined doping profiles and enter the required amount of doping impurity. Keywords: glow discharge, radioactive isotopes, light elements, inert gases, diffusion, formation of phases and solid solutions.

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11

Dong, Xiongbo, Zhiming Sun, Xiangwei Zhang, Xue Li, and Shuilin Zheng. "Synthesis and Enhanced Solar Light Photocatalytic Activity of a C/N Co-Doped TiO2/Diatomite Composite with Exposed (001) Facets." Australian Journal of Chemistry 71, no. 5 (2018): 315. http://dx.doi.org/10.1071/ch17544.

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A C/N co-doped TiO2/diatomite composite with exposed (001) facet was prepared through a facile sol–gel method using tetrabutyl titanate as a titanium precursor and hexamethylenetetramine as C/N dopant. The as-prepared photocatalyst composites were characterised by X-ray diffraction (XRD), nitrogen adsorption–desorption isotherms, scanning electron microscopy (SEM), transmission electron microscopy (TEM), UV-vis diffuse reflectance spectra (DRS), photoluminescence spectroscopy (PL), as well as X-ray photoelectron spectroscopy (XPS). The TiO2 nanoparticles were immobilised and uniformly distributed on the surface of diatomite with a smaller grain size compared with pure TiO2. In addition, compared with pure TiO2 and the undoped TiO2/diatomite composite, the photocatalytic activity of the C/N co-doped TiO2/diatomite composite under solar light illumination was obviously enhanced. Results indicate that the introduction of a C/N dopant can effectively promote the growth of the highly active anatase (001) facet of TiO2. On the other hand, the N impurity was doped into the interstitial spaces of the TiO2 lattice, which accelerated the charge transfer and hindered the recombination of photogenerated electron–hole pairs. The results show that the as-prepared composite exhibited promising applications in dye wastewater degradation owing to its outstanding reusability and cost-effectiveness.

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12

Sueoka, Koji, S. Shiba, and S. Fukutani. "First Principles Calculation for Point Defect Behavior, Oxygen Precipitation and Cu Gettering in Czochralski Silicon." Solid State Phenomena 108-109 (December 2005): 365–72. http://dx.doi.org/10.4028/www.scientific.net/ssp.108-109.365.

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Theoretical consideration for technologically important phenomena in defect engineering of Czochralski silicon was performed with first principles calculation. (i) Point defect behaviour during crystal growth, (ii) enhanced oxygen precipitation in p/p+ epitaxial wafers, and (iii) Cu gettering by impurities are main topics in this work. Following results are obtained. (i) Interstitial Si I is dominant in p type Si while vacancy V is dominant in n type Si during crystal growth when dopant concentration is higher than about 1x1019atoms/cm3. (ii) In initial stage of oxygen precipitation including a few interstitial oxygen (O) atoms, BOn complex is more stable than On complex. The diffusion barrier of O atom in p+ Si is reduced to about 2.2eV compared with the barrier of about 2.5eV in intrinsic Si. (iii) In substitutional B, Sb, As, P and C atoms, only B atom can be an effective gettering center for Cu.

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13

Sun, Ya Juan, and Wan Xing Wang. "Optical and Electrical Properties of P-Type N-Doped ZnO Film." Key Engineering Materials 609-610 (April 2014): 113–17. http://dx.doi.org/10.4028/www.scientific.net/kem.609-610.113.

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Since ZnO is a wide band gap (3.37 eV) semiconductor with a large exitonic binding energy (60 meV), it has been considered as a candidate for various applications, such as ultraviolet (UV) light emitting diodes and laser diodes. For the applications of ZnO-based optoelectronic devices, it is necessary to produce n and p type ZnO films with the high quality. Since ZnO is naturally n-type semiconductor material due to intrinsic defects, such as oxygen vacancies, zinc interstitials, etc., it is easy to produce n-type ZnO with high quality. However, it is difficult to produce low-resistive and stable p-type ZnO due to its asymmetric doping limitations and the self-compensation effects of the intrinsic defects. According to the theoretical studies, p-type ZnO can be realized using group-V dopants substituting for O, such as N, P and As. Among them, N has been suggested to be an effective acceptor dopant candidate to achieve p-type ZnO, because that nitrogen has a much smaller ionic size than P and As and the energy level of substitutional NOis lower than that of substitutional POand AsO.Transparent p-type ZnO: N thin films have been fabricated using the pulsed laser deposition method at deposition temperatures 800 °C under the O2and N2mixing pressure 6Pa. N-doped ZnO films were deposited on sapphire substrate using metallic zinc (99.999%) as target. The structural, optical and electrical properties of the films were examined by XRD, UV-visit spectra and Hall effect measurement. We found that thin film contain the hexagonal ZnO structure. The Hall effect measurement revealed that the carrier concentration is 5.84×10181/ cm3, and Hall mobility is 0.26 cm2/Vs, electrical resistivity is 4.12ohm-cm. Film thickness is 180nm. Besides, Visible light transmittance is more than 80%, and calculative band-gap is 3.1 eV, which is lower than ZnO.

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14

Manzoor, K., V. Aditya, S. R. Vadera, N. Kumar, and T. R. N. Kutty. "A Single-Source Solid-Precursor Method for Making Eco-Friendly Doped Semiconductor Nanoparticles Emitting Multi-Color Luminescence." Journal of Nanoscience and Nanotechnology 7, no. 2 (February 1, 2007): 463–73. http://dx.doi.org/10.1166/jnn.2007.149.

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A novel synthesis method is presented for the preparation of eco-friendly, doped semiconductor nanocrystals encapsulated within oxide-shells, both formed sequentially from a single-source solid-precursor. Highly luminescent ZnS nanoparticles, in situ doped with Cu+–Al3+ pairs and encapsulated with ZnO shells are prepared by the thermal decomposition of a solid-precursor compound, zinc sulfato-thiourea-oxyhydroxide, showing layered crystal structure. The precursor compound is prepared by an aqueous wet-chemical reaction involving necessary chemical reagents required for the precipitation, doping and inorganic surface capping of the nanoparticles. The elemental analysis (C, H, N, S, O, Zn), quantitative estimation of different chemical groups (SO2−4 and NH−4) and infrared studies suggested that the precursor compound is formed by the intercalation of thiourea, and/or its derivatives thiocarbamate (CSNH−2), dithiocarbamate (CS2NH−2), etc., and ammonia into the gallery space of zinc-sulfato-oxyhydroxide corbel where the ZnII ions are both in the octahedral as well as tetrahedral coordination in the ratio 3 : 2 and the dopant ions are incorporated within octahedral voids. The powder X-ray diffraction of precursor compound shows high intensity basal reflection corresponding to the large lattice-plane spacing of d = 11.23 Å and the Rietveld analysis suggested orthorhombic structure with a = 9.71 Å, b = 12.48 Å, c = 26.43 Å, and β = 90°. Transmission electron microscopy studies show the presence of micrometer sized acicular monocrystallites with prismatic platy morphology. Controlled thermolysis of the solid-precursor at 70–110 °C leads to the collapse of layered structure due to the hydrolysis of interlayer thiourea molecules or its derivatives and the S2− ions liberated thereby reacts with the tetrahedral ZnII atoms leading to the precipitation of ZnS nanoparticles at the gallery space. During this process, the dopant ions situated at octahedral voids gets incorporated into the nano-ZnS lattice and results in bright photoluminescence. On further heat treatment above 1100 °C, the corbel zinc-oxyhydroxide sheets undergo dehydroxylation to form ZnO which eventually encapsulates the ZnS nanoparticles at the gallery leading to significant enhancement in the luminescence quantum efficiency, up to ∼22%. The emission color of thus formed nano-ZnS/micro-ZnO composites could be tuned over wide spectral ranges from 480 to 618 nm and the spectral changes are attributed to a number of factors including lattice defects, Cu+–Al3+ dopant-pairs and iso-electronic oxygen in nano-ZnS and oxygen-vacancy or -interstitial centers in non-stoichiometric ZnO.

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15

Rossberg, M., M. Naumann, K. Irmscher, U. Juda, A. Lüdge, Michael Ghosh, and Armin Müller. "Investigation of Defects in the Edge Region of Multicrystalline Solar Silicon Ingots." Solid State Phenomena 108-109 (December 2005): 531–38. http://dx.doi.org/10.4028/www.scientific.net/ssp.108-109.531.

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The structural and electrical properties of as grown multicrystalline (mc) solar silicon have been characterized with special emphasis on the ingot's edge regions. For this purpose a vertical cross section of an mc-Si Bridgman ingot was investigated by Fourier transform infrared spectroscopy (FTIR), laser scattering tomography (LST), lateral photovoltage scanning (LPS), infrared microscopy and microwave detected photoconductivity decay (&PCD). Images of the distribution of dislocations, grain boundaries, precipitates, impurities (O, N, C) and the minority charge carrier lifetime were obtained, partly differentiating the defects by their electrical activity. In particular the LPS method displays dopant striations indicating the shape of the phase boundary. Deviations of the phase boundary from a slightly convex shape in the middle of the ingot to a concave one in the vicinity of the side walls could be observed. The existence of an horizontal temperature gradient deduced from this shape is the reason for convection in the melt. The influence on the concentration profiles of interstitial oxygen and the correlation with the minority charge carrier lifetime are discussed.

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16

HUANG, WEN-FEI, PIN-JIUN WU, WEI-CHIH HSU, CHIH-WEI WU, K. S. LIANG, and M. C. LIN. "CARBON-DOPEDTiO2NANOTUBES: EXPERIMENTAL AND COMPUTATIONAL STUDIES." Journal of Theoretical and Computational Chemistry 12, no. 03 (April 19, 2013): 1350007. http://dx.doi.org/10.1142/s0219633613500077.

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C-doped TiO2nanotubes (NTs) with anatase structure, prepared by anodizing the polished Ti foils, were characterized using X-ray diffraction (XRD), field-emission scanning electron microscope (FE-SEM), and synchrotron-based X-ray photoemission spectroscopy (XPS). XPS results show electron losses in C atoms, no electron change in Ti atoms, and two doping energy levels appeared in band gaps. Structural geometries, DOSs, PDOSs, and Bader charge analyses of C -doped TiO2anatase are predicted by periodic DFT calculations. Eight doping positions were taken into consideration: two substitutional cases (in oxygen and titanium sites) and six interstitial cases. We found that the interstitial carbon doping type is the most stable one, whereas the substitutional cases are rather unstable. Band-gap modifications can also be found in oxygen substitution, but not in titanium substitution. Both band-gap modification and non-band-gap modification are found in the interstitial carbon doping. In these eight C -doping systems, only the C atom in the oxygen substitution case gains electrons, 1.14 e, and others present electron losses within 0.5–4.00 e. The results of XPS measurements, DOSs calculations, and Bader charge analyses show that carbon interstitial is the most likely doping type for the C -doped TiO2NTs.

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17

Shinn, N. D., M. E. Bartram, J. E. Schirber, J. W. Rogers, D. L. Overmyer, Z. Fisk, and S. W. Cheong. "Interstitial doping and oxygen exchange in superconducting La2CuO4+δ." Physica C: Superconductivity 179, no. 4-6 (September 1991): 303–10. http://dx.doi.org/10.1016/0921-4534(91)92176-c.

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18

He, Taohong, Xiaoshan Zeng, and Shaopeng Rong. "The controllable synthesis of substitutional and interstitial nitrogen-doped manganese dioxide: the effects of doping sites on enhancing the catalytic activity." Journal of Materials Chemistry A 8, no. 17 (2020): 8383–96. http://dx.doi.org/10.1039/d0ta01346c.

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N atoms were selectively doped at substitutional or interstitial sites in the MnO₂ lattice using N₂ plasma. This research provides a site-selective N-doping method and a deep insight into the different effects of doping sites.

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19

Wu, Hsuan-Chung, Yu-Siang Lin, and Syuan-Wei Lin. "Mechanisms of Visible Light Photocatalysis in N-Doped Anatase TiO2with Oxygen Vacancies from GGA+U Calculations." International Journal of Photoenergy 2013 (2013): 1–7. http://dx.doi.org/10.1155/2013/289328.

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We have systematically studied the photocatalytic mechanisms of nitrogen doping in anatase TiO2using first-principles calculations based on density functional theory, employing HubbardU(8.47 eV) on-site correction. The impurity formation energy, charge density, and electronic structure properties of TiO2supercells containing substitutional nitrogen, interstitial nitrogen, or oxygen vacancies were evaluated to clarify the mechanisms under visible light. According to the formation energy, a substitutional N atom is better formed than an interstitial N atom, and the formation of an oxygen vacancy in N-doped TiO2is easier than that in pure TiO2. The calculated results have shown that a significant band gap narrowing may only occur in heavy nitrogen doping. With light nitrogen doping, the photocatalysis under visible light relies on N-isolated impurity states. Oxygen vacancies existence in N-doped TiO2can improve the photocatalysis in visible light because of a band gap narrowing and n-type donor states. These findings provide a reasonable explanation of the mechanisms of visible light photocatalysis in N-doped TiO2.

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20

Reboredo, Fernando A., and Sokrates T. Pantelides. "Defect Complexes and Non-Equilibrium Processes Underlying the P-Type Doping of GaN." MRS Internet Journal of Nitride Semiconductor Research 4, S1 (1999): 508–13. http://dx.doi.org/10.1557/s1092578300002969.

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It is well known that hydrogen plays a key role in p-type doping of GaN. It is believed that H passivates substitutional Mg during growth by forming a Mgs-N-Hi complex; in subsequent annealing, H is removed, resulting in p-type doping. Several open questions have remained, however, such as experimental evidence for other complexes involving Mg and H and difficulties in accounting for the relatively high-temperature anneal needed to remove H. We present first principles calculations in terms of which we show that the doping process is in fact significantly more complex. In particular, interstitial Mg plays a major role in limiting p-type doping. Overall, several substitutional/interstitial complexes form and can bind H, with vibrational frequencies that account for hitherto unidentified observed lines. We predict that these defects, which limit doping efficiency, can be eliminated by annealing in an atmosphere of H and N prior to the final anneal that removes H.

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21

An, Junpeng, Haiyan Jiang, Ying Tian, Hongtao Xue, and Fuling Tang. "Manganese doping mechanism in a CsPbI2Br photovoltaic material: a first-principles study." Physical Chemistry Chemical Physics 21, no. 42 (2019): 23552–58. http://dx.doi.org/10.1039/c9cp03870a.

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22

Hou, Qing-Yu, Wen-Cai Li, Ling-Feng Qu, and Chun-Wang Zhao. "Study on the effects of Ga-2N high co-doping and preferred orientation on the stability, bandgap and absorption spectrum of ZnO." International Journal of Modern Physics B 31, no. 14 (March 23, 2017): 1750107. http://dx.doi.org/10.1142/s0217979217501077.

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Currently, the stability and visible light properties of Ga-2N co-doped ZnO systems have been studied extensively by experimental analysis and theoretical calculations. However, previous theoretical calculations arbitrarily assigned Ga- and 2N-doped sites in ZnO. In addition, the most stable and possible doping orientations of doped systems have not been fully and systematically considered. Therefore, in this paper, the electron structure and absorption spectra of the unit cells of doped and pure systems were calculated by first-principles plane-wave ultrasoft pseudopotential with the GGA[Formula: see text]U method. Calculations were performed for pure ZnO, Ga-2N supercells heavily co-doped with Zn[Formula: see text]Ga[Formula: see text]O[Formula: see text]N[Formula: see text] ([Formula: see text], [Formula: see text]) under different co-doping orientations and conditions, and the Zn[Formula: see text]GaN2O[Formula: see text] interstitial model. The results indicated that under different orientations and constant Ga-2N co-doping concentrations, the systems co-doped with Ga-N atoms vertically oriented to the [Formula: see text]-axis and with another N atom located in the nearest-neighboring site exhibited higher stability over the others, thus lowering formation energy and facilitating doping. Moreover, Ga-interstitial- and 2N-co-doped ZnO systems easily formed chemical compounds. Increasing co-doping concentration while the co-doping method remained constant decreased doped system volume and lowered formation energies. Meantime, co-doped systems were more stable and doping was facilitated. The bandgap was also narrower and red shifting of the absorption spectrum was more significant. These results agreed with previously reported experimental results. In addition, the absorption spectra of Ga-interstitial- and 2N-co-doped ZnO both blue shifted in the UV region compared with that of the pure ZnO system.

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Hirian, R., R. Dudric, O. Isnard, K. Kuepper, M. Coldea, L. Barbu-Tudoran, V. Pop, and D. Benea. "Effects of the C interstitial doping on the magnetic properties of LTP MnBi." Journal of Magnetism and Magnetic Materials 532 (August 2021): 167997. http://dx.doi.org/10.1016/j.jmmm.2021.167997.

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24

SHARMA, HITESH, and RANBER SINGH. "FIRST-PRINCIPLES INVESTIGATION INTO FERROMAGNETISM IN C-DOPED ZINC OXIDE CLUSTERS (ZnO)n; N = 1 – 12." International Journal of Nanoscience 10, no. 04n05 (August 2011): 577–80. http://dx.doi.org/10.1142/s0219581x11009076.

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We report the first-principle calculations of ferromagnetism in C -doped ZnO clusters. The carbon impurities in ZnO clusters are doped at substitutional O or Zn sites and at interstitial sites and the total energy calculations suggest C at O site is more stable than that at Zn site. The substitutional C impurity is found more favorable than interstitial C impurity in these clusters. The ZnC region is mainly responsible for the observed ferromagnetism in ZnO:C systems. The average magnetic moment of Zn n O n–m C m clusters is found to be 2 μB/ C for n, m < 7. For n, m > 6 the magnetic moment decreases below 2 μB/ C . The magnetic moment in ( ZnO )n C i; i = 1 – 2 is found to be 0.1–2.0 μB/ C . The combination of substitutional and interstitial C impurities in ZnO clusters leads to magnetic moment of 0.4–1.0 μB/ C .

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25

Xu, Kaiqiang, Difa Xu, Xiangchao Zhang, Zhuo Luo, Yutang Wang, and Shiying Zhang. "Visible-light activity of N-LiInO 2 : Band structure modifications through interstitial nitrogen doping." Applied Surface Science 391 (January 2017): 645–53. http://dx.doi.org/10.1016/j.apsusc.2016.07.037.

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26

Redlich, Ph, J. Loeffler, P. M. Ajayan, J. Bill, F. Aldinger, and M. Rühle. "BCN nanotubes and boron doping of carbon nanotubes." Chemical Physics Letters 260, no. 3-4 (September 1996): 465–70. http://dx.doi.org/10.1016/0009-2614(96)00817-2.

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27

Schubert, E. F., and R. F. Kopf. "Selective n- and p-type C-doping in Ga0.47In0.53As superlattices." Journal of Crystal Growth 127, no. 1-4 (February 1993): 1037–40. http://dx.doi.org/10.1016/0022-0248(93)90786-v.

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28

Tanaka, Daiki, Hiroaki Kurokawa, Satoshi Kamiyama, Tetsuya Takeuchi, Motoaki Iwaya, and Isamu Akasaki. "Study on N and B Doping by Closed Sublimation Growth Using Separated Ta Crucible." Materials Science Forum 963 (July 2019): 34–37. http://dx.doi.org/10.4028/www.scientific.net/msf.963.34.

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Boron (B) doping sources and crucible materials for stable, reproducible and high concentration B doping in fluorescent SiC (f-SiC) were investigated. When a Ta crucible was used with BN powder as a B doping source were used, B doping did not occur owing to too low C/Si ratio. On the other hand, when a C crucible and suitable Ta components inside the crucible were used, a high B concentration of 1.58 × 1019 cm-3 was obtained, owing to the high C/Si ratio. The results indicate that a C crucible with optimal Ta components and BN powder are suitable for high concentration B doping.

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29

Li, Zong Bao, and Xia Wang. "The Modification of Anatase TiO₂ (001) Surface by N or S Atom: A DFT Investigation." Advanced Materials Research 941-944 (June 2014): 588–92. http://dx.doi.org/10.4028/www.scientific.net/amr.941-944.588.

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The electronic of S-doped and N-doped anatase TiO2(001) surfaces were investigated using the density functional theory (DFT). Substitutional and interstitial configurations of N and S atoms doped in anatase TiO2(001) surface and sub-surface at different sites were considered and all the formation energies were obtained. The perfect strutures of atoms doping were obstained by formation energies comparisions. The electronic structures of the results indicated that the elemental doping has much more efficient and stable photocatalyst than the pristine one, which narrowed the band gap of TiO2and improved its visible-light response activity.

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30

Morinaga, M., N. Yukawa, H. Adachi, and T. Mura. "Electronic state of interstitial atoms (C, N, O) in FCC Fe." Journal of Physics F: Metal Physics 18, no. 5 (May 1988): 923–34. http://dx.doi.org/10.1088/0305-4608/18/5/011.

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31

Coey, J. M. D., Y. Otani, Hong Sun, and D. P. F. Hurley. "Magnetic Properties of Interstitial Compounds Sm(Fe11Ti)X1-∂ (X=N,C)." IEEE Translation Journal on Magnetics in Japan 7, no. 8 (August 1992): 613–17. http://dx.doi.org/10.1109/tjmj.1992.4565464.

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32

Mitani, Takeshi, Naoyoshi Komatsu, Tetsuo Takahashi, Tomohisa Kato, Toru Ujihara, Yuji Matsumoto, Kazuhisa Kurashige, and Hajime Okumura. "4H-SiC Growth from Si-Cr-C Solution under Al and N Co-Doping Conditions." Materials Science Forum 821-823 (June 2015): 9–13. http://dx.doi.org/10.4028/www.scientific.net/msf.821-823.9.

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We have investigated the solution growth under various Al-N co-doping conditions. Both p-type and n-type 4H-SiC were successfully grown under Al-N co-doping conditions, while using the effect of Al-addition to stabilize both growth surface and polytype. The doping and electrical properties were investigated systematically. Interaction between Al and N in the incorporation process and electrical property under heavily co-doped conditions were discussed.

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33

Dale, Simone M., Andrew Glidle, and A. Robert Hillman. "Spectroelectrochemical observation of poly(benzo[c]thiophene) n- and p-doping." Journal of Materials Chemistry 2, no. 1 (1992): 99. http://dx.doi.org/10.1039/jm9920200099.

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34

Kim, Dae-Hee, Ga-Won Lee, and Yeong-Cheol Kim. "Interaction of zinc interstitial with oxygen vacancy in zinc oxide: An origin of n-type doping." Solid State Communications 152, no. 18 (September 2012): 1711–14. http://dx.doi.org/10.1016/j.ssc.2012.06.016.

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35

Khan, Sherdil, Thais Lemes Ruwer, Niqab Khan, Ariadne Köche, Rhys W. Lodge, Horácio Coelho-Júnior, Rubem L. Sommer, et al. "Revealing the true impact of interstitial and substitutional nitrogen doping in TiO2 on photoelectrochemical applications." Journal of Materials Chemistry A 9, no. 20 (2021): 12214–24. http://dx.doi.org/10.1039/d0ta11494d.

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36

Sirivallop, Adilah, Thanita Areerob, and Siriluk Chiarakorn. "Enhanced Visible Light Photocatalytic Activity of N and Ag Doped and Co-Doped TiO2 Synthesized by Using an In-Situ Solvothermal Method for Gas Phase Ammonia Removal." Catalysts 10, no. 2 (February 19, 2020): 251. http://dx.doi.org/10.3390/catal10020251.

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Single doping and co-doping of N and Ag on TiO2 were successfully prepared by using an in-situ solvothermal method and their structural properties and chemical compositions were characterized. The results indicated that all photocatalysts displayed in TiO2 anatase crystal phase, and a small mesoporous structure was observed in the doped materials. The main roles of N and Ag on the property and photocatalytic activity of TiO2 were different. The N doping has significantly enhanced homogenous surface morphology and specific surface area of the photocatalyst. While Ag doping was narrowing the band gap energy, extending light absorption toward a visible region by surface plasmon resonance as well as delaying the recombination rate of electron and hole of TiO2. The existence of N in TiO2 lattice was observed in two structural linkages such as substitutional nitrogen (Ti-O-N) and interstitial nitrogen (O-Ti-N). Silver species could be in the form of Ag0 and Ag2O. The photocatalytic performance of the photocatalysts coated on stainless steel mesh was investigated by the degradation of aqueous MB and gas phase NH3 under visible LED light illumination for three recycling runs. The highest photocatalytic activity and recyclability were reached in 5% N/Ag-TiO2 showing the efficiency of 98.82% for methylene blue (MB) dye degradation and 37.5% for NH3 removal in 6 h, which was 2.7 and 4.3 times, respectively. This is greater than that of pure TiO2. This was due to the synergistic effect of N and Ag doping.

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37

Garsuch, Arnd, Ruizhi Yang, Arman Bonakdarpour, and J. R. Dahn. "The effect of boron doping into Co-C-N and Fe-C-N electrocatalysts on the oxygen reduction reaction." Electrochimica Acta 53, no. 5 (January 2008): 2423–29. http://dx.doi.org/10.1016/j.electacta.2007.10.014.

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38

Rahman, M., B. H. Q. Dang, K. McDonnell, J. M. D. MacElroy, and D. P. Dowling. "Effect of Doping (C or N) and Co-Doping (C+N) on the Photoactive Properties of Magnetron Sputtered Titania Coatings for the Application of Solar Water-Splitting." Journal of Nanoscience and Nanotechnology 12, no. 6 (June 1, 2012): 4729–35. http://dx.doi.org/10.1166/jnn.2012.4897.

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39

Hien, Nguyen, Hyo Kim, Mina Jeon, Jin Lee, Muhammad Ridwan, Rizcky Tamarany, and Chang Yoon. "Ru-N-C Hybrid Nanocomposite for Ammonia Dehydrogenation: Influence of N-doping on Catalytic Activity." Materials 8, no. 6 (June 10, 2015): 3442–55. http://dx.doi.org/10.3390/ma8063442.

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40

Coey, J. M. D., Y. Otani, Hong Sun, and D. P. F. Hurley. "Magnetic Properties of Interstitial Compounds Sm(Fe11Ti)X1-δ (X=N, C)." Journal of the Magnetics Society of Japan 15, no. 4 (1991): 769–72. http://dx.doi.org/10.3379/jmsjmag.15.769.

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41

Schymura, Michael, and Alfons Fischer. "Fatigue of Austenitic High Interstitial Steels - The Role of N and C." Advanced Materials Research 891-892 (March 2014): 403–9. http://dx.doi.org/10.4028/www.scientific.net/amr.891-892.403.

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In order to increase the strength and maintain the ductility of austenitic steels high Nitrogen austenitic steels (AHNS) emerged of which Ni was substituted by Mn so that up to 1 w% N could be alloyed and kept in solid solution. Cold working was added to gain strength values up to 3000 MPa. Still the endurance limit did not follow this trend. The low stacking fault energy was thought being the main reason for the solely planar slip but it became clear that other near-field effects might govern this behaviour as well. Thus the density of free electrons could be identified as being one for CrMn-steels being mainly influenced by the sum and the ratio of C and N. In order to investigate this strain-controlled fatigue tests are carried out. This contribution presents the results of strain-controlled fatigue tests and discusses them on the basis of SEM-EBSD and TEM investigations in relation to the microstructural characteristics.

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42

Qi, Qi-nian, Hong Sun, R. Skomski, and J. M. D. Coey. "Magnetization andFe57hyperfine fields inY2Fe17Z3−δ(Z=H, C, or N) interstitial compounds." Physical Review B 45, no. 21 (June 1, 1992): 12278–86. http://dx.doi.org/10.1103/physrevb.45.12278.

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43

Leineweber, A., and S. B. Maisel. "Interstitial atom ordering in fcc-based Ni4X with X = N and C." Computational Materials Science 161 (April 2019): 209–14. http://dx.doi.org/10.1016/j.commatsci.2019.02.002.

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44

HAUCK, J., D. HENKEL, and K. MIKA. "ISING MODEL FOR INTERSTITIAL ALLOYS AND SUPERCONDUCTING OXIDES." International Journal of Modern Physics B 03, no. 09 (September 1989): 1425–33. http://dx.doi.org/10.1142/s0217979289000919.

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The interstitial alloys MZx with Z= H, C, N, O etc. at octahedral or tetrahedral sites of the fcc or bcc M lattice are analysed for nearest and next-nearest neighbor Z-Z interactions. Many compounds have repulsive interactions close to the borderline of maximum separation, which is characterized by Pauling’s electrovalence rule. There are also borderlines for attractive interactions, e.g. cluster formation or segregation. The new superconducting oxides Ba 2 YCu 3 O x, La 2 CuO 4, Bi 2 Sr 2 Ca n−1 Cu n O 2n+4 can be viewed as bcc M= Ba, Cu, Bi etc. lattice with Z= O atoms at octahedral sites. The low T c compounds Nbo , NbC x, TiO x, TiN x, PdH x, etc. have Z= C, N, O, H atoms at octahedral sites of the fcc M= Nb, Ti, Pd lattice.

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45

Chen, Di Chun, Hong Tao Li, Hui Gong, Xiao Ping Wang, and Jing Hua Yao. "Influence of Doping Element Crystal Structure on the Microstructure of Cr Films by Magnetron Sputtering." Key Engineering Materials 723 (December 2016): 464–69. http://dx.doi.org/10.4028/www.scientific.net/kem.723.464.

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Cr films with different doping elements were deposited onto silicon wafer by magnetron sputtering. The microstructure and preferred orientation of Cr films were analyzed by TEM and XRD. The results show that the doping element W with bcc structure can strongly inhibit preferred orientation growth trend along (110) crystal plane of Cr film. A nano-multilayer structure is easily formed in the film, which is composed of Cr and W single layer. The doping element Al with fcc structure can strongly inhibit preferred orientation growth trend along all crystal planes of Cr film. The average grain size of Al (Ce) doped Cr film decreased significantly and the crystallization degree improved with the rare earth element Ce added. Both the doping element Zn with hcp structure and the doping element C with hexagonal structure can inhibit preferred orientation growth trend along (110) crystal plane of Cr film. The mechanism is to form the replacement solid solution and interstitial solid solution with Cr atoms, respectively. Nano-multilayer structure composed of Cr and Zn (or C) single layer formed in the films.

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46

Al-Shahat Eissa, Ahmed, Nam Hoon Kim, and Joong Hee Lee. "Rational design of a highly mesoporous Fe–N–C/Fe3C/C–S–C nanohybrid with dense active sites for superb electrocatalysis of oxygen reduction." Journal of Materials Chemistry A 8, no. 44 (2020): 23436–54. http://dx.doi.org/10.1039/d0ta06987f.

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47

Factorovich, Matias, Lucas Guz, and Roberto Candal. "N-: Chemical Synthesis and Photocatalysis." Advances in Physical Chemistry 2011 (January 12, 2011): 1–8. http://dx.doi.org/10.1155/2011/821204.

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The chemical synthesis of nitrogen-doped titanium dioxide (N-TiO2) is explored in an attempt to understand the mechanisms of doping. Urea is used as precursor in a sol gel synthesis of N-TiO2. Chemical and structural changes during thermal treatment of the precursors were followed by several techniques. The effect of doping on band gap, morphology, and microstructure was also determined. The byproducts produced during firing correspond to those obtained during urea thermal decomposition. Polynitrogenated colored compounds produced at temperatures below 400°C may act as sensitizer. Incorporation of N in the TiO2 structure is possible at higher temperatures. Degradation experiments of salicylic acid under UVA and visible light ( nm) in the presence of TiO2 or N-TiO2 indicate that doping decreases the activity under UVA light, while stable byproducts are produced under visible light.

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48

Wang, Tingting, Miao Wang, Hao Yang, Mingquan Xu, Chuandong Zuo, Kun Feng, Miao Xie, et al. "Weakening hydrogen adsorption on nickel via interstitial nitrogen doping promotes bifunctional hydrogen electrocatalysis in alkaline solution." Energy & Environmental Science 12, no. 12 (2019): 3522–29. http://dx.doi.org/10.1039/c9ee01743g.

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49

Nolan, Michael, Run Long, Niall J. English, and Damian A. Mooney. "Hybrid density functional theory description of N- and C-doping of NiO." Journal of Chemical Physics 134, no. 22 (June 14, 2011): 224703. http://dx.doi.org/10.1063/1.3596949.

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50

Droghetti, A., and S. Sanvito. "Electron doping and magnetic moment formation in N- and C-doped MgO." Applied Physics Letters 94, no. 25 (June 22, 2009): 252505. http://dx.doi.org/10.1063/1.3152781.

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