The 2019 materials by design roadmap
Top Cited Papers
Open Access
- 1 January 2019
- journal article
- review article
- Published by IOP Publishing in Journal of Physics D: Applied Physics
- Vol. 52 (1), 013001
- https://doi.org/10.1088/1361-6463/aad926
Abstract
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.Keywords
This publication has 112 references indexed in Scilit:
- Amber-green light-emitting diodes using order-disorder AlxIn1−xP heterostructuresJournal of Applied Physics, 2013
- Efficiency droop in InGaN/GaN blue light-emitting diodes: Physical mechanisms and remediesJournal of Applied Physics, 2013
- The high-throughput highway to computational materials designNature Materials, 2013
- Past achievements and future challenges in the development of optically transparent electrodesNature Photonics, 2012
- Lead Iodide Perovskite Sensitized All-Solid-State Submicron Thin Film Mesoscopic Solar Cell with Efficiency Exceeding 9%Scientific Reports, 2012
- R-phase formation in Ti39Ni45Cu16 shape memory thin films and bulk alloys discovered by combinatorial methodsActa Materialia, 2009
- Towards the computational design of solid catalystsNature Chemistry, 2009
- Some Fundamental Issues in Ground-State Density Functional Theory: A Guide for the PerplexedJournal of Chemical Theory and Computation, 2009
- Advances in manganese-oxide ‘composite’ electrodes for lithium-ion batteriesJournal of Materials Chemistry, 2005
- Light-emitting diodes based on conjugated polymersNature, 1990