Imperfections are not 0 K: free energy of point defects in crystals
Defects determine many important properties and applications of materials, ranging from
do** in semiconductors, to conductivity in mixed ionic–electronic conductors used in …
do** in semiconductors, to conductivity in mixed ionic–electronic conductors used in …
Thermal energy transport in oxide nuclear fuel
To efficiently capture the energy of the nuclear bond, advanced nuclear reactor concepts
seek solid fuels that must withstand unprecedented temperature and radiation extremes. In …
seek solid fuels that must withstand unprecedented temperature and radiation extremes. In …
Recent developments and future perspective on electrochemical glucose sensors based on 2D materials
Diabetes is a health disorder that necessitates constant blood glucose monitoring. The
industry is always interested in creating novel glucose sensor devices because of the great …
industry is always interested in creating novel glucose sensor devices because of the great …
Reformulation of as a Pseudohybrid Hubbard Density Functional for Accelerated Materials Discovery
The accurate prediction of the electronic properties of materials at a low computational
expense is a necessary condition for the development of effective high-throughput quantum …
expense is a necessary condition for the development of effective high-throughput quantum …
Formation and Diffusion of Metal Impurities in Perovskite Solar Cell Material CH3NH3PbI3: Implications on Solar Cell Degradation and Choice of Electrode
Solar cells based on methylammonium lead triiodide (MAPbI3) have shown remarkable
progress in recent years and have demonstrated efficiencies greater than 20%. However …
progress in recent years and have demonstrated efficiencies greater than 20%. However …
Recent advances in the ab initio theory of solid-state defect qubits
Á Gali - Nanophotonics, 2023 - degruyter.com
Solid-state defects acting as single photon sources and quantum bits are leading
contenders in quantum technologies. Despite great efforts, not all the properties and …
contenders in quantum technologies. Despite great efforts, not all the properties and …
Identification of a telecom wavelength single photon emitter in silicon
We identify the exact microscopic structure of the G photoluminescence center in silicon by
first-principles calculations with including a self-consistent many-body perturbation method …
first-principles calculations with including a self-consistent many-body perturbation method …
Transition-Metal-Related Quantum Emitters in Wurtzite AlN and GaN
Transition-metal centers exhibit a paramagnetic ground state in wide-bandgap
semiconductors and are promising for nanophotonics and quantum information processing …
semiconductors and are promising for nanophotonics and quantum information processing …
A Ti 3 C 2 O 2 supported single atom, trifunctional catalyst for electrochemical reactions
Water splitting and rechargeable air-based batteries are emerging as new renewable
energy storage and conversion technologies. However, the discovery of suitable catalysts …
energy storage and conversion technologies. However, the discovery of suitable catalysts …
First principles calculation of spin-related quantities for point defect qubit research
Point defect research in semiconductors has gained remarkable new momentum due to the
identification of special point defects that can implement qubits and single photon emitters …
identification of special point defects that can implement qubits and single photon emitters …