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Littérature scientifique sur le sujet « Alkali adatom »

Auteur : Grafiati

Publié le 9 mars 2023

Mis à jour le 11 mars 2023

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Articles de revues sur le sujet "Alkali adatom"

Sun, Mengyao, Zhiyong Wang, Yayun Zhao, Junchao Jin, Jianrong Xiao et Liu Wang. « The Effects of Heteroatom Adsorption on the Electronic Properties of Phosphorene ». Journal of Nanomaterials 2017 (2017) : 1–13. http://dx.doi.org/10.1155/2017/9281852.

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A new 2D material, phosphorene, has several remarkable advantages; various superiorities make phosphorene a research hotspot. This paper provides comprehensive information about the structure and electronic and magnetic properties of phosphorene adsorbed with atoms, including alkali and alkaline-earth metal atoms, nonmetallic atoms, noble metal atoms, and transition-metal atoms. Phosphorene adsorbed with alkali and alkaline-earth metal atoms, such as Li and Na adatoms, becomes an n-type semiconductor, while phosphorene adsorbed with Be and Mg atoms becomes a p-type semiconductor. In view of nonmetallic adatoms (B, C, N, and O), the B adatom decorated phosphorene becomes metallic, the band gap of phosphorene adsorbed with C adatom decreases, and the phosphorene is p-type with N adatom, while the electronic property of O adatom adsorption case is affected slightly. Regarding noble metal adatoms adsorption condition, the Ag adatom makes phosphorene a n-type semiconductor, the Au adatom induces phosphorene to have a magnetism of 1 μB, and the electronic property of phosphorene is changed by adsorbing with Pt adatom. Among transition-metal adatoms, such as Fe, Ni, Co, Cu, and Zn adatoms, the band gap is reduced when Fe/Ni adatom adheres to the surface of phosphorene, The Co adsorbed phosphorene turns into a polar-gapless semiconductor and phosphorene is proved to be n-type with Cu adatom, but it is testified that the Zn atom is not suitable to adsorb on the phosphorene.

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Xu, Shun Fu. « Manipulation of Separation Selectivity for Alkali Metals Using Capped Single-Walled Carbon Nanotubes : A Theoretical Study ». Applied Mechanics and Materials 687-691 (novembre 2014) : 4307–10. http://dx.doi.org/10.4028/www.scientific.net/amm.687-691.4307.

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Alkali metal (Cs/Li/Na) adsorption on (5, 5) and (9, 0) single-walled carbon nanotubes (CNTs) with a capped edge had been investigated by first-principles calculations. Our calculations are performed within density functional theory (DFT) under the generalized gradient approximation (GGA) of Perdew, Burke, and Ernzerhof (PBE).For the indefective (5, 5)/(9, 0) CNT, adsorption energy ordering of the alkali-metal adatoms is Cs>Li>Na so that the Cs adsorption was energetically favored with respect to the Li/Na adatom. However, the adsorption energy ordering of the alkali-metal adatoms for the defective (5, 5) CNT was Li>Cs>Na. Therefore, separation selectivity for alkali metals could be actualized using the capped single-walled carbon nanotubes. The (5, 5)/(9, 0) P-CNT adsorbed Cs atoms preferentially, while the (5, 5)/(9, 0) defective CNT (D-CNT) adsorbed Li atoms advantageously.

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Brivio, G. P., G. Butti, S. Caravati, G. Fratesi et M. I. Trioni. « Theoretical approaches in adsorption : alkali adatom investigations ». Journal of Physics : Condensed Matter 19, n^o 30 (13 juillet 2007) : 305005. http://dx.doi.org/10.1088/0953-8984/19/30/305005.

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García, Evelina A., A. Iglesias-García, S. C. Gómez Carrillo et M. A. Romero. « S-type single alkali-adatom on graphene ». Applied Surface Science 452 (septembre 2018) : 507–13. http://dx.doi.org/10.1016/j.apsusc.2018.05.011.

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Pang, Qing, Long Li, Lin-li Zhang, Chun-ling Zhang et Yu-ling Song. « Functionalization of germanene by metal atoms adsorption : A first-principles study ». Canadian Journal of Physics 93, n^o 11 (novembre 2015) : 1310–18. http://dx.doi.org/10.1139/cjp-2015-0206.

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First-principles calculations were performed to study the adsorption characteristics of 15 different metal atoms on germanene. For the alkali metal adatoms (Li, Na, and K) on germanene, the bonding is approximately ideal ionic and the semimetallic germanene finally becomes metallic with a small band gap opening at the Dirac point. The bonding of alkaline earth metal atoms (Be, Mg, and Ca) to germanene is a mixture of ionic and covalent. The Be and Mg adsorptions lead to semiconducting behavior in germanene, while similar to Li, Na, and K adsorptions, the Ca adsorbed germanene is metallic. For most transition metal adatoms, a strong covalent bonding behavior is found between the adatom and germanene layer, which causes much larger distortions in the germanene lattice. As a result of partially occupied d orbital, the transition metals show also diverse electronic structures when interacting with germanene, such as nonmagnetic metal, nonmagnetic semiconductor, ferromagnetic metal, ferromagnetic semiconductor, and more particularly, ferromagnetic half-metal. In addition, the analysis of the partial density of states indicates that the ferromagnetic property of the obtained transition metal – germanene systems mainly results from the spin-split of the adatom 3d states. The rich electronic and magnetic properties of metal–germanene systems may have potential applications for designing new nanoscale electronic and spintronic devices.

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Davydov, S. Yu, et G. I. Sabirova. « Adsorption of hydrogen, alkali metal, and halogen atoms on graphene : Adatom charge calculation ». Technical Physics Letters 37, n^o 6 (juin 2011) : 515–18. http://dx.doi.org/10.1134/s1063785011060034.

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Ludbrook, B. M., G. Levy, P. Nigge, M. Zonno, M. Schneider, D. J. Dvorak, C. N. Veenstra et al. « Evidence for superconductivity in Li-decorated monolayer graphene ». Proceedings of the National Academy of Sciences 112, n^o 38 (8 septembre 2015) : 11795–99. http://dx.doi.org/10.1073/pnas.1510435112.

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Monolayer graphene exhibits many spectacular electronic properties, with superconductivity being arguably the most notable exception. It was theoretically proposed that superconductivity might be induced by enhancing the electron–phonon coupling through the decoration of graphene with an alkali adatom superlattice [Profeta G, Calandra M, Mauri F (2012) Nat Phys 8(2):131–134]. Although experiments have shown an adatom-induced enhancement of the electron–phonon coupling, superconductivity has never been observed. Using angle-resolved photoemission spectroscopy (ARPES), we show that lithium deposited on graphene at low temperature strongly modifies the phonon density of states, leading to an enhancement of the electron–phonon coupling of up to λ≃0.58. On part of the graphene-derived π∗-band Fermi surface, we then observe the opening of a Δ≃0.9-meV temperature-dependent pairing gap. This result suggests for the first time, to our knowledge, that Li-decorated monolayer graphene is indeed superconducting, with Tc≃5.9 K.

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Mandarino, N., P. Zoccali, P. Riccardi, A. Bonanno, A. Oliva et F. Xu. « Evidence of alkali adatom island formation induced by ion bombardment on a Na covered Pt surface ». Nuclear Instruments and Methods in Physics Research Section B : Beam Interactions with Materials and Atoms 115, n^o 1-4 (juillet 1996) : 590–93. http://dx.doi.org/10.1016/0168-583x(95)01505-1.

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Davydov, S. Yu, et A. V. Pavlyk. « Adsorption of alkali metals on the (100) silicon surface : Calculation of the adatom charge and the work function ». Technical Physics 49, n^o 8 (août 2004) : 1050–54. http://dx.doi.org/10.1134/1.1787667.

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SOUDA, R. « INTERACTION OF ALKALI METALS WITH SOLID SURFACES STUDIED BY LOW-ENERGY D+ SCATTERING ». International Journal of Modern Physics B 08, n^o 06 (15 mars 1994) : 679–706. http://dx.doi.org/10.1142/s0217979294000269.

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The study of alkali-metal adsorption on metal and semiconductor surfaces has been a favored topic of surface science. This is motivated by a number of interesting physical effects, such as charge transfer, work function changes, and alteration of surface reactivity. Despite considerable research efforts, however, there has still been significant controversies about most of these properties. In this paper, a review is presented concerning alkali–metal adsorption on well-defined transition-metal and semiconductor surfaces, with particular emphasis on the bond-nature analysis using low-energy D + scattering. The analysis based on resonance neutralization of the D + ions associated with the 1s hole diffusion into the band reveals that Na, K, and Cs adatoms have significant covalency on the transition metal surfaces while those except for Na are ionically adsorbed on the semiconductor surfaces in a small coverage regime (< 1.7 × 1014 adatoms/cm 2). The charge state of Na is rather critical because of the larger ionization energy than the others. The other examples are concerned with the analyses of the interaction of these alkali–metal adatoms with electronegative species such as oxygen and halogens on the metal and semiconductor surfaces.

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Thèses sur le sujet "Alkali adatom"

ACHILLI, SIMONA. « Spectral properties of adsorbates on metal surfaces via the embedding method ». Doctoral thesis, Università degli Studi di Milano-Bicocca, 2010. http://hdl.handle.net/10281/10827.

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Adsorbates on metal surfaces have attracted recently the scientific interest both from a fundamental point of view (quantum confinement) and in perspective of application in technology. In particular the electronic properties of such reduced symmetry systems are strictly related to their low dimensionality. An accurate theoretical description of their spectral properties has necessarily to deal with the absence of periodicity that characterizes these systems in one (thin films) or more (adatoms) directions. The embedding method allows to overcome this drawback considering a really infinite system both on vacuum and bulk side. In this thesis the ab initio spectral properties of single adatoms (alkali-metal atom and Ba) on Cu(111) and thin overlayers (K/Cu(111), Bi/Cu(100), O/Fe(100)) are analyzed, also in comparison with experimental results. The capabilities of the theoretical method adopted allow to evidence the role of the substrate band structure on the adsorbates induced electronic states. In particular the aspects related to the resonant charge transfer from the adsorbate's states to the bulk continuum are analyzed. This process represents an elastic decay channel for the surface electronic states and contributes to the elastic lifetime, that we can estimate according to the description of a continuous substrate band structure. The results presented for single adatoms evidence the blockade effect that a surface projected energy gap of the substrate produces on the resonant charge transfer. On the other hand the results relative to the overlayer allows to analyze the complex hybridization mechanism between surface features and substrate states in different points of the surface Brillouin zone. In addition the theoretical description of the electronic properties of overlayers on metal surfaces is devoted in this thesis also to the simulation of experimental findings, namely STM and STS images and photoemission spectra, showing the predictive character of the theoretical approach used.

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Sobaczynski, Adam [Verfasser], et Rhett [Akademischer Betreuer] Kempe. « Alkane Elimination Reactions between Transition Metal Hydrides and Rare-Earth Alkyls / Adam Sobaczynski. Betreuer : Rhett Kempe ». Bayreuth : Universität Bayreuth, 2014. http://d-nb.info/1060010151/34.

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Chapitres de livres sur le sujet "Alkali adatom"

Kansara, Shivam, Sanjeev K. Gupta, Yogesh Sonvane et Anurag Srivastava. « Realization of Switching Mechanism of CO2 by Alkaline Adatoms on g-B4N3 Surface ». Dans Springer Proceedings in Physics, 423–40. Singapore : Springer Singapore, 2019. http://dx.doi.org/10.1007/978-981-15-0202-6_34.

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« Alkali-adsorbed graphene nanoribbons ». Dans Structure-and Adatom-Enriched Essential Properties of Graphene Nanoribbons, sous la direction de Shih-Yang Lin, Ngoc Thanh Thuy Tran, Sheng-Lin Chang, Wu-Pei Su et Ming-Fa Lin, 135–57. CRC Press, 2018. http://dx.doi.org/10.1201/9780429400650-9.

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Taber, Douglass. « Functional Group Protection ». Dans Organic Synthesis. Oxford University Press, 2011. http://dx.doi.org/10.1093/oso/9780199764549.003.0013.

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Alcohols are usually protected as alkyl or silyl ethers. Michael P. Jennings of the University of Alabama found (Tetrahedron Lett. 2008, 49, 5175) that pyridinium tribromide can selectively remove the TBS (or TES) protection from the primary alcohol of a protected primary-secondary alcohol such as 1. Propargyl ethers are useful because they are stable, but can be selectively removed in the presence of other protecting groups. Shino Manabe and Yukishige Ito at RIKEN showed (Tetrahedron Lett. 2008, 49, 5159) that SmI2 could reductively remove a propargyl group in the presence of acetonides (illustrated, 3), MOM, benzyl and TBS ethers. Hisanaka Ito of the Tokyo University of Pharmacy and Life Sciences took advantage (Organic Lett. 2008, 10, 3873) of the reducing power of Cp2Zr to selectively remove the allyl ethers from 5, to give 6. These conditions might also remove propargyl ethers. Esters can also be useful protecting groups. Naoki Asao of Tohoku University developed (Tetrahedron Lett . 2008, 49, 7046) the o-alkynyl ester 7. Au catalyst in EtOH removed the ester, leaving benzoates, acetates, OTBS and OTHP intact. Alternatively, an o-iodobenzoate can be removed by Sonogashira coupling followed by the Au hydrolysis. N-Formylation is usually accomplished using mixed anhydrides. Weige Zhang and Maosheng Chang of Shenyang Pharmaceutical University put forward ( Chem. Commun. 2008 , 5429) an intriguing alternative, heating a secondary amine 9 with KCN in the presence of dimethyl malonate to give 10. Many of the current methods for amination that have been developed deliver the aryl amine. John F. Hartwig of the University of Illinois established (J. Am. Chem. Soc. 2008, 130, 12220) that exposure of the amine 11 to Boc2O followed by CAN led to the protected, dearylated amine 12. Adam McCluskey of The University of Newcastle observed (Tetrahedron Lett. 2008, 49, 6962) that microwave heating removed Boc protecting groups when there was a free carboxylic acid elsewhere in the molecule. Michael Lefenfeld of SiGNa Chemistry and James E. Jackson of Michigan State University used (Organic Lett. 2008, 10, 5441) easilyhandled Na/silica gel to remove primary and secondary sulfonamides (e.g. 15 → 16). Methanesulfonamides were also removed under these conditions.

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