Wide band gap chalcogenide semiconductors
Wide band gap semiconductors are essential for today's electronic devices and energy
applications because of their high optical transparency, controllable carrier concentration …
applications because of their high optical transparency, controllable carrier concentration …
Big data in a nano world: a review on computational, data-driven design of nanomaterials structures, properties, and synthesis
The recent rise of computational, data-driven research has significant potential to accelerate
materials discovery. Automated workflows and materials databases are being rapidly …
materials discovery. Automated workflows and materials databases are being rapidly …
Discovery of energy storage molecular materials using quantum chemistry-guided multiobjective bayesian optimization
Redox flow batteries (RFBs) are a promising technology for stationary energy storage
applications due to their flexible design, scalability, and low cost. In RFBs, energy is carried …
applications due to their flexible design, scalability, and low cost. In RFBs, energy is carried …
High-throughput calculations of charged point defect properties with semi-local density functional theory—performance benchmarks for materials screening …
Calculations of point defect energetics with Density Functional Theory (DFT) can provide
valuable insight into several optoelectronic, thermodynamic, and kinetic properties. These …
valuable insight into several optoelectronic, thermodynamic, and kinetic properties. These …
Transparent conducting materials discovery using high-throughput computing
Transparent conducting materials (TCMs) are required in many applications from solar cells
to transparent electronics. Developing high performance materials combining the …
to transparent electronics. Developing high performance materials combining the …
High‐throughput computational materials screening and discovery of optoelectronic semiconductors
In the recent past, optoelectronic semiconductors have attracted significant research
attention both experimentally and theoretically toward large‐scale applications in energy …
attention both experimentally and theoretically toward large‐scale applications in energy …
Latest directions in p-type transparent conductor design
J Willis, DO Scanlon - Journal of Materials Chemistry C, 2021 - pubs.rsc.org
Transparent conducting materials (TCMs) are crucial in the operation of modern opto-
electronic devices, combining the lucrative properties of optical transparency and electronic …
electronic devices, combining the lucrative properties of optical transparency and electronic …
Challenges and opportunities of chemiresistors based on microelectromechanical systems for chemical olfaction
M Guo, JT Brewster II, H Zhang, Y Zhao, Y Zhao - ACS nano, 2022 - ACS Publications
Microelectromechanical-system (MEMS)-based semiconductor gas sensors are considered
one of the fastest-growing, interdisciplinary high technologies during the post-Moore era …
one of the fastest-growing, interdisciplinary high technologies during the post-Moore era …
Perovskite oxides as transparent semiconductors: a review
H He, Z Yang, Y Xu, AT Smith, G Yang, L Sun - Nano Convergence, 2020 - Springer
Traditional transparent conducting oxides (TCOs) have been widely used for various
optoelectronic applications, but have the trade-off between conductivity and transmittance …
optoelectronic applications, but have the trade-off between conductivity and transmittance …
High-throughput density functional perturbation theory and machine learning predictions of infrared, piezoelectric, and dielectric responses
Many technological applications depend on the response of materials to electric fields, but
available databases of such responses are limited. Here, we explore the infrared …
available databases of such responses are limited. Here, we explore the infrared …