Добірка наукової літератури з теми "Metal-dopant"

TiO2 photocatalysts doped with different metal ions were prepared by adsorption phase synthesis. The influence of different dopant metal ions with various concentrations on the crystallization of TiO2 was ex-plored by XRD. Then photodegradation experiments of methyl-orange were employed to evaluate the activity of these photocatalysts. The results indicated that the crystallization of TiO2 was restricted after doping, due to replacement of Ti4+ in TiO2 lattice structure by other metal ions. And the restriction became stronger with radius and concentration of doping ions increasing. There was an optimum dopant concentration appeared during preparation of TiO2 doped with Cd2+ and Fe3+. When dopant concentration was less or more than this optimum value, the photocatalytic activity of TiO2 doped with metal ions was lower than that of TiO2 without doping. Since radius of Fe3+ was close to Ti4+, the influence of Fe3+ dopant concentration on crystallization and activity of TiO2 was more obvious than that of Cd2+ doping.

We investigate the effect of central metal atom on the phthalocyanine (Pc) molecular crystals as intercalated with indium. As dopant, indium has physical interaction with some atom in the ring of Pc molecule and there is charge transfer between indium atom and Pc ring atom. Since In-doped Pc is a hole doping which increase positive charge carriers and the HOMO of ZnPc, CuPc, NiPc and MgPc are localized on the phthalocyanine ring, then, the central metal atom e.g. Zn, Cu, Ni and Mg are not directly involved with the charge transfer between indium dopant and their Pc molecule. The structural phase transition from α phase to β phase of ZnPc upon doping with indium is another evidence for the existing of charge transfer between dopant atom and matrix Pc molecule. A comparative experiment of optical absorption spectrum of each metal Pc reveals that the central metal atom will affect the forming of crystal structure whether will be α phase or β phase as intercalated with indium.

Purpose The purpose of this study is comparison of the diffusion processes performed using the commercial available dopant paste made by Filmtronics and the original prepared liquid dopant solution. To decrease prices of industrially produced silicon-based solar cells, the new low-cost production processes are necessary. The main components of most popular silicon solar cells are with diffused emitter layer, passivation, anti-reflective layers and metal electrodes. This type of cells is prepared usually using phosphorus oxychloride diffusion source and metal pastes for screen printing. The diffusion process in diffusion furnace with quartz tube is slow, complicated and requires expensive equipment. The alternative for this technology is very fast in-line processing using the belt furnaces as an equipment. This approach requires different dopant sources. Design/methodology/approach In this work, the diffusion processes were made for two different types of dopant sources. The first one was the commercial available dopant paste from Filmtronics and the second one was the original prepared liquid dopant solution. The investigation was focused on dopant sources fabrication and diffusion processes. The doping solution was made in two stages. In the first stage, a base solution (without dopants) was made: dropwise deionized (DI) water and ethyl alcohol were added to a solution consisting of tetraethoxysilane (TEOS) and 99.8 per cent ethyl alcohol. Next, to the base solution, orthophosphoric acid dissolved in ethyl alcohol was added. Findings Diffused emitter layers with sheet resistance around 60 Ω/sq were produced on solar grade monocrystalline silicon wafers using two types of dopant sources. Originality/value In this work, the diffusion processes were made for two different types of dopant sources. The first one was the commercial available dopant paste from Filmtronics and the second one was the original prepared liquid dopant solution.

Metallic contamination on silicon surfaces has a detrimental impact on ULSI device performance and yield. Surface metal impurities degrade gate oxide integrity while metal impurities dissolved in silicon cause recombination centers and result in junction leakage. Surface metal impurities penetrate silicon by the colliding with dopant during ion implantation and are also diffused in silicon by subsequent annealing [. The diffusion behavior of metal impurities in silicon is well-known [. While metal impurities often penetrate silicon through the silicon oxide in ULSI processing, little work has been reported on the diffusion behavior of metal impurities penetrating silicon oxide. We demonstrated the diffusion behavior of metal impurities penetrating silicon substrates with different thickness of silicon oxide by the collision with dopant during ion implantation.

Using DFT simulations, we studied the interaction of a semifullerene C30 and a defected graphene layer. We obtained the C30 chemisorbs on the surface. We also found the adsorbed C30 chemisorbs, Li, Ti, or Pt, on its concave part. Thus, the resulting system (C30-graphene) is a graphene layer decorated with a metal-doped C30. The adsorption of the molecules depends on the shape of the base of the semifullerene and the dopant metal. The CO molecule adsorbed without dissociation in all cases. When the bottom is a pentagon, the adsorption occurs only with Ti as the dopant. It also adsorbs for a hexagon as the bottom with Pt as the dopant. The carbon dioxide molecule adsorbs in the two cases of base shape but only when lithium is the dopant. The adsorption occurs without dissociation. The ozone molecule adsorbs on both surfaces. When Ti or Pt are dopants, we found that the O3 molecule always dissociates into an oxygen molecule and an oxygen atom. When Li is the dopant, the O3 molecule adsorbs without dissociation. Methane did not adsorb in any case. Calculating the recovery time at 300 K, we found that the system may be a sensor in several instances.

Hafnium and Zirconium based gate dielectrics are considered potential candidates to replace SiO2 or SiON as the gate dielectric in CMOS processing. Furthermore, the addition of nitrogen into this pseudo-binary alloy has been shown to improve their thermal stability, electrical properties, and reduce dopant penetration. Because CMOS processing requires high temperature anneals (up to 1050 °C), it is important to understand the diffusion properties of any metal associated with the gate dielectric in silicon at these temperatures. In addition, dopant penetration from the doped polysilicon gate into the Si channel at these temperatures must also be studied. Impurity outdiffusion (Hf, Zr) from the dielectric, or dopant (B, As, P) penetration through the dielectric into the channel region would likely result in deleterious effects upon the carrier mobility. In this dissertation extensive thermal stability studies of alternate gate dielectric candidates ZrSixOy and HfSixOy are presented. Dopant penetration studies from doped-polysilicon through HfSixOy and HfSixOyNz are also presented. Rutherford backscattering spectroscopy (RBS), heavy ion RBS (HI-RBS), x-ray photoelectron spectroscopy (XPS), high resolution transmission electron microscopy (HR-TEM), and time of flight and dynamic secondary ion mass spectroscopy (ToF-SIMS, D-SIMS) methods were used to characterize these materials. The dopant diffusivity is calculated by modeling of the dopant profiles in the Si substrate. In this disseration is reported that Hf silicate films are more stable than Zr silicate films, from the metal interdiffusion point of view. On the other hand, dopant (B, As, and P) penetration is observed for HfSixOy films. However, the addition of nitrogen to the Hf - Si - O systems improves the dopant penetration properties of the resulting HfSixOyNz films.

CAPES - Coordenação de Aperfeiçoamento de Pessoal de Nível Superior
CENAPAD - Centro Nacional de Processamento de Alto Desempenho em São Paulo
FAPEMIG - Fundação de Amparo a Pesquisa do Estado de Minas Gerais
Utilizando cálculos de primeiro princípios, nós encontramos propriedades estruturais, eletrônicas e magnéticas dos metais de transição (MTs) Co, Fe e Mn depositados em InAs(110) e InAs(001), uma superfície semicondutora III-V. Em relação às propriedades estruturais, obtidas através de relaxação iônica e imagens STM (do inglês, scanning tunneling microscopy) teóricas, nós verificamos que os MTs se posicionaram mais próximos aos arsênios quando comparado com as distâncias interatômicas MTs-In. Utilizando NEB (do inglês Nudged Elastic Band, nós verificamos que os MTs substituem a posição de um cátion da primeira camada da superfície InAs(110). Verificamos ainda que a formação de trilhas de MTs é mais estável na direção [110]. Por outro lado, os MTs causaram grande deformação no topo das reconstruções InAs(001)-^2(2 x 4) (rica em arsênios) e InAs(001)-Z(4 x 2) (rica em In). Através da comparação de energia de adsorção, foi verificado que o cobalto é o elemento que possui maior adesão em InAs(110) e InAs(001), enquanto a incorporação de MTs sobre o substrato se mostrou um processo exotérmico. Através da aproximação de Bader para o cálculo de carga eletrônica, nós encontramos que os MTs atuam como átomos aceitadores de elétrons e, consequentemente, foi constatado a redução dos momentos magnéticos de spin dos íons magnéticos. O acoplamento magnético entre os MTs (a partir de dois íons magnético por supercélula) em InAs(110) é sempre antiferromagnético (AF) via superexchange, cuja interação sfoi mediada pelos orbitais p do ânions da rede. Contudo o acomplamento magnético entre os MTs nas reconstruções /32(2 x 4) e Z(4 x 2) se mostrou dependente da posição final dos MTs sobre o substrato, por exemplo, os íons magnéticos apresentaram acomplamento ferromagnético em Co2/InAs(001)-^2(2 x 4). Por fim, foi verificado que a energia de anisotropia magnética se mostrou sensível à concentração e à posição dos íons magnéticos na rede semicondutora. Sendo assim, baseados nestes resultados, nós concluimos que as propriedades estruturais, eletrônicas e magnéticas dos sistemas MTs/InAs são expressivamente anisotrópicas. A reconstrução superficial do B/Si(1 1 1)- (/3 x //3) R30° tem sido utilizada recentemente como uma plataforma de montagem supramolecular. Porém, o nosso entendimento dos defeitos nativos desse sistema á-dopado e de suas correspondentes assinaturas via microscopia de tunelamento com varredura é incompleto. Neste trabalho, portanto, estudamos esse sistema fazendo uso de cálculos de energia total ab initio e da técnica de Microscopia de Tunelamento. Descobrimos que, embora perturbações à geometria de equilíbrio da superfície sejam geralmente fracas, as perturbações causadas às estruturas eletrônicas podem ser um tanto quanto fortes devido à presença de ligações pendentes compostas de orbitais Si-3p^. Além disso, propomos uma possível estrutura para um defeito anteriormente identificado que aparece em imagens STM a corrente constante e tensão de polarização positiva como um arranjo na forma de um triângulo equilátero de átomos adsorvidos de Si com intensidade atenuada.
Based on first principles calculations, we have studied the structural, electronic, and magnetic properties of transition metals (MTs) Co, Fe, and Mn adsorbed on the III-V semiconductor surfaces, namely, InAs (110) and InAs (001). As regards the structural properties, obtained through ionic relaxation and theoretical scanning tunneling microscopy (STM) images, we found that MTs were positioned closer to the arsenic, while the MTs-In interatomic distances are larger. Using NEB (Nudged Elastic Band), we have verified that MTs replace the topmost cation of the InAs (110) surface. We also verified the energetic preference to the formation MTs chains along the direction [110]. On the other hand, MTs induce large structural deformation on the InAs(001)-S2(2 x 4) (As-rich), and InAs(001)- Z(4 x 2) (In-rich) surfaces. By comparing adsorption energies, we verified the energetic preference of cobalt adatoms,compared with the other MTs, on the InAs(110) and InAs(001) surface, while MTs incorporation on the substrate express an exothermic process. Using Bader’s approach for charge transfer calculations, we find that the MTs act as acceptor dopants and, consequently, the reduction of the magnetic moments of spin of magnetic ions was observed. The magnetic coupling between the MTs (two, three or four magnetic ions per supercell) no InAs (110) is always antiferromagnetic (AF) via superexchange, whose interaction is mediated by the p orbitals of the substrate anions. However, the magnetic coupling between the MTs in the /32(2 x 4) and Z (4 x 2) reconstructions has been shown to be dependent on the location of the MTs on the substrate, for example, the magnetic ions have a ferromagnetic coupling in Co2/InAs(001)-S2(2 x 4). Finally, the magnetic anisotropy energy is sensitive to the concentration and position of the magnetic ions in the semiconductor substrate. Therefore, based on these results, we conclude that the structural, electronic and magnetic properties of the MTs/InAs systems are expressively anisotropic. The B/Si(111)-(\/3 x \/3)R300 surface reconstruction has recently been used as a platform for supramolecular assembly. However, our understanding of the native defects in this delta- doped system and their corresponding STM signatures is incomplete. So we have studied this system using ab initio total energy calculations and scanning tunneling microscopy. We find that although perturbations to the equilibrium geometry of the surface are in general weak, the perturbations to the electronic structure can be quite strong due to the presence of dangling bonds composed of Si-3p^ orbitals. Additionally, we propose a possible structure for a previously unidentified defect that appears in positive bias constant-current STM images as an equilateral triangular arrangement of Si adatoms with attenuated intensity.
Tese (Doutorado)

It has become increasingly apparent that the future of electronic devices can and will rely on the functionality provided by single or few dopant atoms. The most scalable physical system for quantum technologies, i.e. sensing, communication and computation, are spins in crystal lattices. Diamond is an excellent host crystal offering long room temperature spin coherence times and there has been exceptional experimental work done with the nitrogen vacancy center in diamond demonstrating many forms of spin control. Transition metal dopants have additional advantages, large spin-orbit interaction and internal core levels, that are not present in the nitrogen vacancy center. This work explores the implications of the internal degrees of freedom associated with the core d levels using a tight-binding model and the Koster-Slater technique. The core d levels split into two separate symmetry states in tetrahedral bonding environments and result in two levels with different wavefunction spatial extents. For 4d semiconductors, e.g. GaAs, this is reproduced in the tight-binding model by adding a set of d orbitals on the location of the transition metal impurity and modifying the hopping parameters from impurity to its nearest neighbors. This model does not work in the case of 3d semiconductors, e.g. diamond, where there is no physical reason to drastically alter the hopping from 3d dopant to host and the difference in wavefunction extent is not as pronounced. In the case of iron dopants in gallium arsenide the split symmetry levels in the band gap are responsible for a decrease in tunneling current when measured with a scanning tunneling microscope due to interference between two elastic tunneling paths and comparison between wavefunction measurements and tight-binding calculations provides information regarding material parameters. In the case of transition metal dopants in diamond there is less distinction between the symmetry split d levels. When considering pairs of transition metal dopants an important quantity is the exchange interaction between the two, which is a measure of how fast a gate can be operated between the pair and how well entanglement can be created. The exchange interaction between pairs of transition metal dopants has been calculated in diamond for several directions in the (110) plane, and for select transition metal dopants in gallium arsenide. In tetrahedral semiconductors transition metal dopants provide an internal degree of freedom due to the symmetry split d levels and this included functionality makes them special candidates for single spin based quantum technologies as well as physical systems to learn about fundamental physics.

Дисертація на здобуття наукового ступеня доктора технічних наук за спеціальністю 05.17.03 – технічна електрохімія (161 – хімічні технології та інженерія). ‒ Національний технічний університет "Харківський політехнічний інститут", Харків, 2020. Об’єкт дослідження ‒ електрохімічні та хімічні процеси на міжфазовій межі та в оксидному шарі при формуванні гетерооксидних покриттів на сплавах алюмінію і титану. Предмет дослідження – механізм процесу поверхневої обробки сплавів алюмінію та титану у лужних розчинах електролітів, технологічні параметри плазмо-електролітного оксидування, склад, структура та функціональні властивості гетерооксидних покриттів. Дисертацію присвячено розробці наукових засад технології плазмо-електролітного формування гетерооксидних покриттів заданого складу і функціональних властивостей на сплавах алюмінію (титану) для екотехнологій. Висунуто та експериментально доведено гіпотези щодо гомогенізації поверхні багатокомпонентних сплавів алюмінію (титану) та формування заданого рельєфу оксидної матриці плазмо-електролітним оксидуванням у лужних розчинах дифосфатів та формування міцноадгезованих гетерооксидних покриттів із широким спектром функціональних властивостей на сплавах алюмінію (титану), що реалізацується в одному технологічному процесі плазмо-електролітним оксидуванням у лужних розчинах дифосфатів за присутності сполук металів-допантів. За результатами комплексного дослідження плазмо-електролітного оксидування багатокомпонентних сплавів запропоновано нову парадигму інженерії поверхні, за якою в одному технологічному процесі проводять гомогенізацію поверхні оброблюваних матеріалів із мінімізацією вмісту їх легувальних елементів, утворення наперед заданої топографії монооксидної матриці Al₂O₃ (TiO₂) та одночасною інкорпорацією цільових допувальних компонентів. Запропоновано використання комплексних електролітів на основі дифосфатів лужних металів для прискорення електрохімічного розчинення, зв’язування та видалення легувальних елементів із поверхневих шарів багатокомпонентних сплавів алюмінію (титану), встановлено шляхи керування гомогенізацією поверхні та доведено, що ПЕО в розчині 0,5–1,0 моль/дм³ K₄P₂O₇ за густини струму 5–7 А/дм² дозволяє зменшити вміст легувальних елементів у поверхневих шарах в 4–5 разів та сформувати розвинену оксидну матрицю металу-носія, що склало підґрунтя для розробки узагальненої технологічної схеми процесу. Запропоновано стратегію синтезу гетерооксидних покриттів плазмо-електролітним оксидуванням легованих сплавів алюмінію (титану) з формуванням в одному процесі оксидної матриці металу-носія та інкорпорації оксидів металів-допантів; доведено, що співвідношення компонентів електроліту впливає на вміст допанта, морфологію та топографію поверхні гетерооксидного покриття. З використанням диференціальних залежностей dU/dt–U для опису кінетичних закономірностей та встановлення стадійності процесу плазмо-електролітного оксидування сплавів різного хімічного складу доведено, що відмінність кута нахилу таких залежностей на початкових ділянках ПЕО зумовлена формуванням оксидів різної природи, а домінанта реакцій розчинення компонентів сплаву над реакціями формування оксидів з високим питомим опором обумовлює появу плато на залежності dU/dt–U, протяжність якого відбиває формування гетерооксидного шару. Обґрунтовано концепцію інкорпорації оксидів Mn та Co до складу покриттів і доведено, що в лужних електролітах на основі дифосфатів при додаванні солей металів-допантів в режимі "спадаючої потужності" з варіюванням густини струму формуються гетерооксидні покриття Al₂O₃·MnOₓ із вмістом мангану до 36,0 ат.% та Al₂O₃·CoOᵧ із вмістом кобальту до 24,0 ат.%, що дозволило визначити оптимальні умови синтезу. Підтверджено утворення в запропонованих режимах матриці металу-носія із фазовою структурою корунду, в яку інкорпоровані оксиди металів-допантів змінної валентності. Встановлено, що значне зростання мікротвердості для системи Al | Al₂O₃ CoOᵧ зумовлено не тільки утворенням α-Al₂O₃ в каналах пробою, а і формуванням структури сапфіру CoAl₂O₄ за рахунок хімічного заміщення і доведено, що термообробка гетерооксидних покриттів при температурах 300–500°С зумовлює зміну співвідношення оксидних форм допувальних компонентів при збереженні високих показників мікротвердості. Встановлено, що одностадійна плазмо-електролітна обробка поршня двигуна КамАЗ-740 у розчинах дифосфату з додаванням манганатів (VII) та солей кобальту (ІІ) дозволяє сформувати рівномірні міцноадгезовані каталітичні і теплозахисні гетерооксидні покриття оксидами мангану та кобальту, високу активність яких доведено в робочому процесі каталітичного горіння палива. Знайшли подальший розвиток уявлення про систему чинників впливу на склад, морфологію, топографію та структуру гетерооксидних покриттів на легованих сплавах алюмінію (титану) і залежність функціональних властивостей оксидних шарів від режиму формування та складу поверхні. Практичне значення одержаних результатів полягає в розробці варіативних технологічних схем плазмо-електролітної обробки багатокомпонентних сплавів алюмінію (титану) у розчинах дифосфатів із мінімізацією вмісту легувальних елементів у поверхневих шарах та формуванням гетерооксидних покриттів з підвищеним вмістом активних компонентів й заданими функціональними властивостями. Тестуванням розроблених покриттів на випробувальних стендах кафедри двигунів внутрішнього згоряння НТУ "ХПІ" встановлено зменшення викидів оксидів азоту й вуглецю та підвищення паливної економічності двигунів за рахунок внутрішньоциліндрового каталізу. Результатами випробувань гетерооксидних покриттів у Харківському науково-дослідному експертно-криміналістичному центрі МВС України встановлено їх підвищену корозійну стійкість та механічну міцність, що дозволило рекомендувати одержані матеріали для захисту від корозійного руйнування та підвищення механічної міцності капсюлей-детонаторів, які використовуються для проведення вибухових робіт. Підвищені механічні властивості та висока адгезійна міцність оксидних покриттів до основного металу підтверджено випробуваннями на АТ "УКРНДІХІММАШ". Теоретичні матеріали та практичні результати дослідження використано в освітньому процесі Національного аерокосмічного університету ім. М.Є. Жуковського "Харківський авіаційний інститут" при підготовці фахівців за спеціальністю "Теплоенергетика" та Військового інституту танкових військ НТУ «ХПІ» при підготовці курсантів за спеціальностями "Забезпечення військ (сил)" та "Озброєння та військова техніка". Науково-технічна новизна розробок підтверджується 7-ма патентами України та патентом Респубілки Казакстан, частина з яких відзначена дипломами Всеармійського конкурсу "Кращий винахід року", а саме: патент України № 116176 "Спосіб зниження токсичності газових викидів двигунів внутрішнього згоряння" (диплом I ступеня у номінації "Автомобільна техніка", 2017 рік); патент України № 117765 "Спосіб обробки поршнів двигунів внутрішнього згоряння" (диплом II ступеня у номінації "Автомобільна техніка", 2018 рік); патент України № 135696 "Поршень двигуна внутрішнього згоряння з каталітичним термостійким покриттям" (диплом "За оригінальність технічного рішення", 2019 рік).
Dissertation for the Degree of the Doctor of Engineering Sciences in the Specialty of 05.17.03 – technical Electrochemistry (161 – Chemical Technology and Engineering). – National Technical University "Kharkіv Polytechnic Institute", Kharkіv, 2020. The object of research is chemical and electrochemical processes in the volume of electrolyte, oxide coating and interface in the formation of heteroxide coatings on aluminum and titanium alloys. The subject of research is the mechanism of the surface treatment of aluminum and titanium alloys in alkaline solutions of electrolytes, technological parameters of plasma-electrolyte oxidation, composition, structure and functional properties of heteroxide coatings. The thesis is devoted to the development of scientific bases of plasma-electrolytic formation of heterooxide coatings of a given composition and functional properties on aluminum (titanium) alloys for ecotechnologies. Hypotheses were generated and experimentally proved concerning the homogenization of the surface of aluminum (titanium) multicomponent alloys and the formation of a given relief of the oxide matrix by plasma-electrolyte oxidation in alkaline solutions of diphosphates and the formation of strongly adhesed heteroxide coatings with a wide range of functional properties on aluminium (titanium) alloys by executing plasma-electrolytic oxidation in alkaline solutions of diphosphates with the presence of dopant metal compounds in one technological process. As a result of a comprehensive study of plasma-electrolytic oxidation of multicomponent alloys, a new paradigm of surface engineering is proposed, according to which in one technological process the surface of processed materials is homogenized with minimization of their alloying components, formation of predefined topography of Al₂O₃ (TiO₂) monoxide matrix and simultaneous incorporation of target alloying components. The use of complex electrolytes based on alkali metal diphosphates for acceleration of electrochemical dissolution, binding and removal of alloying components from the surface layers of multicomponent aluminum (titanium) alloys is proposed, ways to control surface homogenization are established and it is proved that PEO 1.0 in 0.5 mol/L K₄P₂O₇ solution at a current density of 5–7 A/dm² allows to reduce the content of alloying components in the surface layers by 4–5 times and to form developed oxide matrix of the metal-carrier, which became the basis for the development of a generalized flow chart. It is proposed to use a strategy for the synthesis of heteroxide coatings by plasma-electrolyte oxidation of alloyed aluminum (titanium) alloys with the formation of the oxide matrix of the metal-carrier and the incorporation of oxides of metal-dopants in one process; it is proved that the ratio of electrolyte components affects the content of dopant, morphology and topography of the heteroxide coating surface. With the use of differential dependences dU/dt–U in order to describe the kinetic laws and establish the stages of the process of plasma-electrolytic oxidation of alloys of different chemical composition, it is proved that the difference in the slope of such dependences at the initial sites of PEO is due to the formation of oxides of different nature, and the dominant of dissolution reactions of alloys components over the reaction of oxide formation with high resistivity cause the appearance of a plateau on the dU / dt – U dependence, the length of which reflects the formation of a heteroxide layer. The conception of incorporation of Mn and Co oxides into the coatings was substantiated and it is proved that in alkaline electrolytes, which are based on diphosphates, with the addition of metal-dopant salts in the mode of "decreasing power" with variation of current density heteroxide oxide coatings Al₂O₃·MnOₓ with manganese content up to 36 % and Al₂O₃·CoOᵧ with cobalt content up to 24.0 %, are formed that allowed to determine the optimal synthesis conditions. The formation of matrix of metal-carrier in proposed modes with a phase structure of corundum, in which oxides of dopant metals of variable valence are incorporated, is confirmed. It is established that a significant increase in microhardness for the system Al | Al₂O₃·CoOᵧ is caused not only by the formation of α-Al₂O₃ in breakdown paths, but also by the formation of the structure of CoAl₂O₄ sapphire due to chemical substitution and it is proved that heat treatment of heteroxide coatings at temperatures of 300–500 °C causes a change in the ratio of oxide forms of alloying components while maintaining high microhardness values. It is established that one-stage plasma-electrolyte treatment of the KamAZ-740 engine piston in diphosphate solutions with the addition of manganates (VII) and cobalt (II) salts allows to form uniform strongly adhered catalytic and heat-protective heteroxide coatings by oxides of manganese and cobalt, high activity of which was proved in the process of catalytic fuel combustion. The idea of the system of factors influencing the composition, morphology, topography and structure of heteroxide coatings on alloyed aluminum (titanium) alloys and the dependence of the functional properties of oxide layers on the mode of formation and surface composition was further developed. The practical significance of the obtained results lies in the development of variable technological schemes of plasma-electrolyte treatment of multicomponent aluminum (titanium) alloys in diphosphate solutions with minimization of alloying components in surface layers and formation of heteroxide coatings with high content of active components and given functional properties. Testing of the developed coatings on the test benches of the Department of Internal Combustion Engines of NTU "KhPI" revealed a reduction in emissions of nitrogen and carbon oxides and increase in fuel efficiency of engines due to internal cylinder catalysis. The results of tests of heteroxide coatings in the Kharkiv Scientific Research Forensic Center of the Ministry of Internal Affairs of Ukraine established their increased corrosion resistance and mechanical strength, which allowed to recommend the obtained materials to protect against corrosion damage and increase the mechanical strength of detonator caps used for blasting. Increased mechanical properties and high adhesive strength of oxide coatings to the base metal were confirmed by tests at JSC "UKRNDIHIMMASH". Theoretical materials and practical results of the research were used in the educational process of the National Aerospace University named after M.E. Zhukovsky "Kharkiv Aviation Institute" in the training of specialists in the specialty "Thermal power" and the Military Institute of Armored Forces of NTU "KhPI" in the training of cadets in the specialties "Provision of troops (forces)" and "Armament and military equipment". The scientific and technical novelty of the developments is confirmed by 7 patents of Ukraine, some of which were awarded diplomas of the All-Army competition "Best Invention of the Year", namely: patent of Ukraine # 116176 "Method of reducing toxicity of gaseous emissions from internal combustion engines" (first-degree diploma certificate in nomination "Automotive Equipment", 2017); patent of Ukraine # 117765 "Method of processing pistons of internal combustion engines" (second-degree diploma certificate in nomination "Automotive Equipment", 2018); patent of Ukraine # 135696 "Piston of an internal combustion engine with a catalytic heat-resistant coating" (diploma certificate "For the originality of the technical solution", 2019).

The semiconductor industry scaling has mainly been driven by Mooreâ s law, which states that the number of transistors on a single chip should double every year and a half to two years. Beyond 2011, when the channel length of the Metal Oxide Field effect transistor (MOSFET) approaches 16 nm, the scaling of the planar MOSFET is predicted to reach its limit. Consequently, a departure from the current planar MOSFET on bulk silicon substrate is required to push the scaling limit further while maintaining electrostatic control of the gate over the channel. Alternative device structures that allow better control of the gate over the channel such as reducing short channel effects, and minimizing second order effects are currently being investigated. Such novel device architectures such as Fully-Depleted (FD) planar Silicon On Insulator (SOI) MOSFETS, Triple gate SOI MOSFET and Gate-All-Around Nanowire (NW) MOSFET utilize Silicon on Insulator (SOI) substrates to benefit from the bulk isolation and reduce second order effects due to parasitic effects from the bulk. The doping of the source and drain regions and the redistribution of the dopants in the channel greatly impact the electrical characteristics of the fabricated device. Thus, in nano-scale and reduced dimension transistors, a tight control of doping levels and formation of pn junctions is required. Therefore, deeper understanding of the lateral component of the diffusion mechanisms and interface effects in these lower dimensional structures compared to the bulk is necessary. This work focuses on studying the dopant diffusion mechanisms in Silicon nanomembranes (2D), nanoribbons (â 1.Xâ D), and nanowires (1D). This study also attempts to benchmark the 1D and 2D diffusion against the well-known bulk (3D) diffusion mechanisms.
Master of Science

Дисертація на здобуття наукового ступеня доктора технічних наук за спеціальністю 05.17.03 ‒ технічна електрохімія (161 – хімічні технології та інженерія). ‒ Національний технічний університет "Харківський політехнічний інститут", Харків, 2020. Дисертацію присвячено розробці наукових засад технології плазмо-електролітного формування гетерооксидних покриттів заданого складу і функціональних властивостей на сплавах Al (Ti) для екотехнологій. Висунуто та експериментально доведено гіпотези щодо гомогенізації поверхні багатокомпонентних сплавів та формування заданого рельєфу оксидної матриці плазмо-електролітним оксидуванням в лужних розчинах дифосфатів та формування міцноадгезованих гетерооксидних покриттів із широким спектром функціональних властивостей за присутності сполук металів-допантів. З використанням диференціальних залежностей dU/dt–U описано кінетичні закономірності та встановлено стадійність процесу ПЕО сплавів різного хімічного складу. Встановлено, що використання розчинів дифосфатів дозволяє зменшити вміст легувальних елементів у поверхневих шарах в 4–5 разів та сформувати розвинену оксидну матрицю металу-носія. Доведено, що в лужних електролітах при додаванні солей металів-допантів в режимі "спадаючої потужності" з варіюванням густини струму формуються гетерооксидні покриття із Ѡ(Mn) до 36,0 ат. % та з Ѡ(Co) до 24,0 ат. %, що дозволило визначити оптимальні умови синтезу. Підтверджено утворення в запропонованих режимах матриці металу-носія, в яку інкорпоровані оксиди металів-допантів змінної валентності. Доведено, що термообробка гетерооксидних покриттів при температурах до 600°С зумовлює зміну співвідношення оксидних форм допувальних компонентів при збереженні високих показників мікротвердості. Встановлено, що одностадійна плазмо-електролітна обробка поршня двигуна КамАЗ-740 у розроблених електролітах та режимах дозволяє сформувати рівномірні міцноадгезовані каталітичні і теплозахисні гетерооксидні покриття оксидами мангану та кобальту, активність яких доведено в робочому процесі каталітичного горіння палива. Розроблено варіативні схеми плазмо-електролітної обробки багатокомпонентних сплавів Al (Ti) з підвищеним вмістом активних компонентів й заданими функціональними властивостями. За результатами комплексу експериментальних досліджень та тестувань властивостей покриттів в модельних середовищах й технологічних умовах визначено перспективні області застосування одержаних матеріалів.
Thesis for scientific degree of Doctor of Technical Sciences in the Specialty of 05.17.03 – Technical Electrochemistry (161 – Chemical Technology and Engineering). – National Technical University "Kharkіv Polytechnic Institute", Kharkіv, 2020. The thesis is devoted to the development of scientific bases of plasma-electrolytic formation of heterooxide coatings of a given composition and functional properties on Al (Ti) alloys for ecotechnologies. Hypotheses were generated and experimentally proved concerning the homogenization of the surface of aluminum (titanium) multicomponent alloys and the formation of a given relief of the oxide matrix by plasma-electrolyte oxidation in alkaline solutions of diphosphates and the formation of strongly adhesed heteroxide coatings with a wide range of functional properties on aluminium (titanium) alloys by executing plasma-electrolytic oxidation in alkaline solutions of diphosphates with the presence of dopant metal compounds in one technological process. With the use of differential dependences dU/dt–U in order to describe the kinetic laws and establish the stages of the process of plasma-electrolytic oxidation of alloys of different chemical composition. It found that the use of complex electrolytes based on alkali metal allows to reduce the content of alloying components in the surface layers by 4–5 times and to form developed oxide matrix of the metal-carrier. It proved that in the mode of "decreasing power" with variation of current density heteroxide oxide coatings with Ѡ(Mn) up 36.0 аt. % and with Ѡ(Co) up 24.0 аt. %, that allowed to determine the optimal synthesis conditions. The formation of matrix of metal-carrier in proposed modes, in which oxides of dopant metals of variable valence are incorporated, is confirmed. It is proved that heat treatment of heteroxide coatings at temperatures up 600°C causes a change in the ratio of oxide forms of alloying components while maintaining high microhardness values. It is established that one-stage plasma-electrolyte treatment of the KamAZ-740 engine piston in in developed electrolytes and modes allows to form uniform strongly adhered catalytic and heat-protective heteroxide coatings by oxides of manganese and cobalt, high activity of which was proved in the process of catalytic fuel combustion. The variation schemes of of plasma-electrolytic treatment of multicomponent Al (Ti) alloys with the increased content of active components and the set functional properties were suggested. The perspective areas of the application of the obtained materials according to the results of experimental researches and tests of properties in model environments and technological conditions are determined.

We present the development of a novel, UHV-compatible device fabrication strategy for the realisation of nano- and atomic-scale devices in silicon by harnessing the atomic-resolution capability of a scanning tunnelling microscope (STM). We develop etched registration markers in the silicon substrate in combination with a custom-designed STM/ molecular beam epitaxy system (MBE) to solve one of the key problems in STM device fabrication ??? connecting devices, fabricated in UHV, to the outside world. Using hydrogen-based STM lithography in combination with phosphine, as a dopant source, and silicon MBE, we then go on to fabricate several planar Si:P devices on one chip, including control devices that demonstrate the efficiency of each stage of the fabrication process. We demonstrate that we can perform four terminal magnetoconductance measurements at cryogenic temperatures after ex-situ alignment of metal contacts to the buried device. Using this process, we demonstrate the lateral confinement of P dopants in a delta-doped plane to a line of width 90nm; and observe the cross-over from 2D to 1D magnetotransport. These measurements enable us to extract the wire width which is in excellent agreement with STM images of the patterned wire. We then create STM-patterned Si:P wires with widths from 90nm to 8nm that show ohmic conduction and low resistivities of 1 to 20 micro Ohm-cm respectively ??? some of the highest conductivity wires reported in silicon. We study the dominant scattering mechanisms in the wires and find that temperature-dependent magnetoconductance can be described by a combination of both 1D weak localisation and 1D electron-electron interaction theories with a potential crossover to strong localisation at lower temperatures. We present results from STM-patterned tunnel junctions with gap sizes of 50nm and 17nm exhibiting clean, non-linear characteristics. We also present preliminary conductance results from a 70nm long and 90nm wide dot between source-drain leads which show evidence of Coulomb blockade behaviour. The thesis demonstrates the viability of using STM lithography to make devices in silicon down to atomic-scale dimensions. In particular, we show the enormous potential of this technology to directly correlate images of the doped regions with ex-situ electrical device characteristics.

碩士
中原大學
應用物理研究所
96
Tris-(8-hydrozyquinoline)aluminum (Alq3), is one of the most frequently used low-molecular weight materials for organic light-emitting devices(OLEDs), and is a so called fluorescence emitter, but it’s triplet exciton are also expected to play an implortant role in the organic photovoltaic devices. Because of the spin statistic of the exciton, the lifetime of these triplet exciton are significanty longer than that of the singlet exciton. If the long lifetime of these triplet exciton can be used, it will result in long exciton diffusion lenth which is good for organic solar cells devices. In my research, I use the Mg-modified Alq3 hetrohomogeneous thin film to be n type material which behavior an enhanced singlet to triplet exciton exchange, and we found it can promote electron injection in organic electronic devices, provide proper energy step for the p-n junction, and enhance the conductivety between the interface of Mg-modified Alq3 and Ag layers.

For advancement in future spintronics, the diluted magnetic semiconductors (DMSs) might be understood for their origin of ferromagnetic aptness. It not much clear to the ferromagnetism in DMS, that is intrinsic or via dopant clustering formation. For this, we have included a review study for the doping of transition metal and rare earth ions in ZnO. It is realized that the antiferromagnetic ordering is found in doped ZnO to achieve high-TC ferromagnetism. X-ray diffraction and Raman spectra techniques have been used to detect the wurtzite ZnO structure and lattice defects. Since ZnO has different types of morphology formation that is generally dependent on synthesis conditions and dopant level. The band gap energy of ZnO and lattice defect formation are shown by photoluminescence technique. The room temperature ferromagnetism is described with bound magnetic polaron (BMP) model in which oxygen vacancies play a major role. However, the temperature-dependent conditions are responsible for ferromagnetic ordering. The first principle calculation is used for dopant ions in ZnO for their replacement of Zn2+ atoms in the wurtzite structure as well as magnetic contribution.

Most of the work has been done on the optical properties of the rare earth doped CePO4, so there are few studies on the effect of metal ion doping on CePO4. The doping improves the properties of the compounds and can lead to new properties. It is the first time, that multi- ionic doping process is used in the CePO4matrix, in order to improve the ionic conductivity and the electrochemical stability. The low percentage of (Cd2+, Li+), Cr3+, Bi3+ dopant affect the structure showing a weak decrease in the lattice parameters compared to the CePO4. Impedance spectroscopy analysis was used to analyze the electrical behavior of samples as a function of frequency at different temperatures. The total electrical conductivity plots obtained from impedance spectra shows an increase of the total conductivity as Li, Cr-content increases. The determined energy gap values decrease with increasingly Li+, Cr3+ and Bi3+ doping content. Electrochemical tests showed an improved capacity when increasing the Li+, Cr3+ and Bi3+ content and a stable cycling performance.

Diluted magnetic semiconductor (DMS) materials have gained a lot of attention in the last decade due to their possible use in spintronics. In this chapter, the effect of transition metal (TM) i.e., Mn and Fe doping on the structural, electronic, magnetic as well as optical properties of pure and doped LuN has been presented from the first principles density functional theory (DFT) calculation with the Perdew-Burke-Ernzerhof-generalized gradient approximation (PBE-GGA) and Tran Blaha modified Becke-Johnson potential (TB-mBJ) as correlation potentials. The predicted Curie temperature is expected to be greater than room temperature in order to better understand the ferromagnetic phase stability, which has also been confirmed through the formation and cohesive energies. The calculated lattice constants for perfect LuN (rock-salt structure) are in good agreement with the experimental values. Interestingly, doping of Mn and Fe on pure LuN displays indirect band gap to a direct band gap with half metallic and metallic character. The detailed analyses combined with density of state calculations support the assignment that the Half-magnetism and magnetism are closely related to the impurity band at the origin of the hybridization of transition states in the Mn-doped LuN. Absorption spectra are blue shifted upon increase in dopant contents and absorption peaks are more pronounced in UV region. The refractive index and dielectric constant show increase in comparison to the pure LuN. According to the Penn’s model, the predicted band gaps and static actual dielectric constants vary. These band gaps are in the near visible and ultraviolet ranges, as well as the Lu0.75TM0.25N (TM = Fe, Mn) materials could be considered possible candidates for the production of optoelectronic, photonic, and spintronic devices in the future.

Engineered nanomaterials with tailored properties are highly required in a wide range of industrial fields. Consequently, the researches dedicated to the identification of new applications for existing materials and to the development of novel promising materials and cost effective, eco-friendly synthesis methods gained considerable attention in the last years. Cobalt ferrite is one of the nanomaterials with a wide application range due to its unique properties such as high electrical resistivity, negligible eddy current loss, moderate saturation magnetization, chemical and thermal stability, high Curie temperature and high mechanical hardness. Moreover, its structural, magnetic and electrical properties can be tailored by the selection of preparation route, chemical composition, dopant ions and thermal treatment. This chapter presents the recent applications of nanosized cobalt ferrites doped or co-doped with divalent transition ions such as Zn2+, Cu2+, Mn2+, Ni2+, Cd2+ obtained by various synthesis methods in ceramics, medicine, catalysis, electronics and communications.

Laser annealing technology is used in mass production of new-generation semiconductor materials and nano-electronic devices like the MOS-based (metal–oxide–semiconductor) integrated circuits. Manufacturing sub-100 nm MOS devices demands application of ultra-shallow doping (junctions), which requires rapid high-temperature annealing to increase dopant electrical activation and remove implantation defects in the silicon [1].