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The 2019 materials by design roadmap
Alberi, Kirstin,Nardelli, Marco Buongiorno,Zakutayev, Andriy,Mitas, Lubos,Curtarolo, Stefano,Jain, Anubhav,Fornari, Marco,Marzari, Nicola,Takeuchi, Ichiro,Green, Martin L,Kanatzidis, Mercouri,Toney, M IOP 2019 Journal of Physics. D, Applied Physics Vol.52 No.1
<P>Advances in renewable and sustainable energy technologies critically depend on our ability to design and realize materials with optimal properties. Materials discovery and design efforts ideally involve close coupling between materials prediction, synthesis and characterization. The increased use of computational tools, the generation of materials databases, and advances in experimental methods have substantially accelerated these activities. It is therefore an opportune time to consider future prospects for materials by design approaches. The purpose of this Roadmap is to present an overview of the current state of computational materials prediction, synthesis and characterization approaches, materials design needs for various technologies, and future challenges and opportunities that must be addressed. The various perspectives cover topics on computational techniques, validation, materials databases, materials informatics, high-throughput combinatorial methods, advanced characterization approaches, and materials design issues in thermoelectrics, photovoltaics, solid state lighting, catalysts, batteries, metal alloys, complex oxides and transparent conducting materials. It is our hope that this Roadmap will guide researchers and funding agencies in identifying new prospects for materials design.</P>
Influence of Hydrogen on Ternary MgZrNx Thin Films Deposited by Combinatorial Sputtering
김제경,( Sage R. Bauers ),( Imran S. Khan ),박보인,( Kevin R. Talley ),( John Perkins ),김대한,( Andriy Zakutayev ),신병하 한국공업화학회 2019 한국공업화학회 연구논문 초록집 Vol.2019 No.1
Nitride materials have been widely used in optoelectronic applications such as light emitting diodes (LED) or as coatings and diffusion barriers in semiconducting industries; however, there is almost no study of photovoltaic devices based on nitride regarldess of their remarkable properties. Espcially, ternary nitrides with transition metals have been reported to posses a high dieletric constant which is favorable for photovoltaic applications. In this study, MgZrNx thin films were deposited by a high-throughput combinatorial sputtering technique. Only a few studies on the material properties of these ternary nitrides have been reported. Using a high-throughput analysis, we studied their optoelectronic, electrical, and optical properties as a function of the compositional (or cationic/anionic) ratio. Furthermore, we incorporated hydrogen to MgZrNx thin films as a passivation means.