Matches in SemOpenAlex for { <https://semopenalex.org/work/W2590439314> ?p ?o ?g. }
Showing items 1 to 83 of
83
with 100 items per page.
- W2590439314 abstract "In this dissertation, the ReaxFF potential was employed to investigate the complex surface chemistry of two nano-scale systems, including growth of aluminum oxide (Al2O3) layers on aluminum nanoparticles (ANPs) and Ge-based semiconductors. ANPs have been considered “energetic materials” due to their high enthalpy of oxidation and potentially applicable to rocket propellant formulations. In addition, there is a growing interest in using the Ge-based semiconductors to replace conventional Si-based semiconductors. However, a quantitative and comprehensive understanding of kinetic mechanisms associated with the above-mentioned systems has not yet been fully achieved, primarily due to complexities of their reaction processes in nature. Given this, the present work is motivated by two research questions: (1) What are the dominant factors that give a higher degree of energy efficiency during the oxidation process of ANPs, and (2) What is the optimal guidance for manufacturing Ge-based semiconductors? As such, this study aims to gain atomistic-scale insights into growth kinetics of passivation layers on ANPs and Ge surfaces using the ReaxFF reactive force field method. To achieve these aims, research strategies included: (a) application of the ReaxFF potential for Al/O system being chosen as a means of understanding the mechanism of the oxidation of ANPs; (b) development and application of a ReaxFF reactive force field for Al/C/H/O interactions to study the effects of surface modification on the oxidation kinetics of the ANPs; and (c) extension of the ReaxFF potential to Ge/Al/C/H/O systems to directly model an Al2O3 atomic layer deposition (ALD) process on Ge surfaces, and comparing computational results with experimental work. Our findings from combined ReaxFF and experimental studies offer very promising options and systematic strategies for the ANPs and the Ge-based semiconductors to be used in the combustion and the ALD applications, respectively. In summary, this dissertation clarifies mechanisms for growth kinetics of passivation layers (i.e., Al2O3 layer) on ANPs and Ge surfaces and suggests future directions for studying the reaction kinetics of a wide range of complex nano-scale systems from an atomistic-scale viewpoint." @default.
- W2590439314 created "2017-03-03" @default.
- W2590439314 creator A5080246802 @default.
- W2590439314 date "2016-06-13" @default.
- W2590439314 modified "2023-09-27" @default.
- W2590439314 title "Atomistic-scale investigation of the growth kinetics of aluminum oxide layers on aluminum nanoparticles and germanium-based semiconductors using the ReaxFF reactive force field" @default.
- W2590439314 hasPublicationYear "2016" @default.
- W2590439314 type Work @default.
- W2590439314 sameAs 2590439314 @default.
- W2590439314 citedByCount "0" @default.
- W2590439314 crossrefType "journal-article" @default.
- W2590439314 hasAuthorship W2590439314A5080246802 @default.
- W2590439314 hasConcept C108225325 @default.
- W2590439314 hasConcept C121332964 @default.
- W2590439314 hasConcept C127413603 @default.
- W2590439314 hasConcept C147597530 @default.
- W2590439314 hasConcept C148898269 @default.
- W2590439314 hasConcept C155672457 @default.
- W2590439314 hasConcept C159467904 @default.
- W2590439314 hasConcept C171250308 @default.
- W2590439314 hasConcept C185592680 @default.
- W2590439314 hasConcept C191897082 @default.
- W2590439314 hasConcept C192562407 @default.
- W2590439314 hasConcept C2776372370 @default.
- W2590439314 hasConcept C2776653683 @default.
- W2590439314 hasConcept C2779227376 @default.
- W2590439314 hasConcept C2779851234 @default.
- W2590439314 hasConcept C33574316 @default.
- W2590439314 hasConcept C42360764 @default.
- W2590439314 hasConcept C49040817 @default.
- W2590439314 hasConcept C544956773 @default.
- W2590439314 hasConcept C550623735 @default.
- W2590439314 hasConcept C59593255 @default.
- W2590439314 hasConcept C62520636 @default.
- W2590439314 hasConceptScore W2590439314C108225325 @default.
- W2590439314 hasConceptScore W2590439314C121332964 @default.
- W2590439314 hasConceptScore W2590439314C127413603 @default.
- W2590439314 hasConceptScore W2590439314C147597530 @default.
- W2590439314 hasConceptScore W2590439314C148898269 @default.
- W2590439314 hasConceptScore W2590439314C155672457 @default.
- W2590439314 hasConceptScore W2590439314C159467904 @default.
- W2590439314 hasConceptScore W2590439314C171250308 @default.
- W2590439314 hasConceptScore W2590439314C185592680 @default.
- W2590439314 hasConceptScore W2590439314C191897082 @default.
- W2590439314 hasConceptScore W2590439314C192562407 @default.
- W2590439314 hasConceptScore W2590439314C2776372370 @default.
- W2590439314 hasConceptScore W2590439314C2776653683 @default.
- W2590439314 hasConceptScore W2590439314C2779227376 @default.
- W2590439314 hasConceptScore W2590439314C2779851234 @default.
- W2590439314 hasConceptScore W2590439314C33574316 @default.
- W2590439314 hasConceptScore W2590439314C42360764 @default.
- W2590439314 hasConceptScore W2590439314C49040817 @default.
- W2590439314 hasConceptScore W2590439314C544956773 @default.
- W2590439314 hasConceptScore W2590439314C550623735 @default.
- W2590439314 hasConceptScore W2590439314C59593255 @default.
- W2590439314 hasConceptScore W2590439314C62520636 @default.
- W2590439314 hasLocation W25904393141 @default.
- W2590439314 hasOpenAccess W2590439314 @default.
- W2590439314 hasPrimaryLocation W25904393141 @default.
- W2590439314 hasRelatedWork W2016601033 @default.
- W2590439314 hasRelatedWork W2042215797 @default.
- W2590439314 hasRelatedWork W2098328681 @default.
- W2590439314 hasRelatedWork W2099857007 @default.
- W2590439314 hasRelatedWork W2267072357 @default.
- W2590439314 hasRelatedWork W2339149607 @default.
- W2590439314 hasRelatedWork W2342116052 @default.
- W2590439314 hasRelatedWork W2557564628 @default.
- W2590439314 hasRelatedWork W2588930422 @default.
- W2590439314 hasRelatedWork W2765472800 @default.
- W2590439314 hasRelatedWork W2903920461 @default.
- W2590439314 hasRelatedWork W2950244548 @default.
- W2590439314 hasRelatedWork W2971463297 @default.
- W2590439314 hasRelatedWork W2989837482 @default.
- W2590439314 hasRelatedWork W3005001631 @default.
- W2590439314 hasRelatedWork W3086341613 @default.
- W2590439314 hasRelatedWork W3126644205 @default.
- W2590439314 hasRelatedWork W3155885638 @default.
- W2590439314 hasRelatedWork W3195775955 @default.
- W2590439314 hasRelatedWork W341062382 @default.
- W2590439314 isParatext "false" @default.
- W2590439314 isRetracted "false" @default.
- W2590439314 magId "2590439314" @default.
- W2590439314 workType "article" @default.