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 …
Spinel-type persistent luminescence nanoparticles: From mechanisms, compositions to applications
T Zhao, R Abdurahman, R Aiwaili, S Wu… - Coordination Chemistry …, 2023 - Elsevier
Spinel-structure persistent luminescence nanoparticles (SS-PLNPs) have attracted
considerable interest due to their magical afterglow emission. SS-PLNPs constitute spinel …
considerable interest due to their magical afterglow emission. SS-PLNPs constitute spinel …
Strong absorption and ultrafast localisation in NaBiS2 nanocrystals with slow charge-carrier recombination
IV-VI2 ternary chalcogenides are gaining attention as earth-abundant, nontoxic, and air-
stable absorbers for photovoltaic applications. However, the semiconductors explored thus …
stable absorbers for photovoltaic applications. However, the semiconductors explored thus …
Cation disorder dominates the defect chemistry of high-voltage LiMn 1.5 Ni 0.5 O 4 (LMNO) spinel cathodes
High-voltage spinel LiMn1. 5Ni0. 5O4 (LMNO) can exist in a Mn/Ni ordered P4332 or
disordered Fdm arrangement with a majority of literature studies reporting improved …
disordered Fdm arrangement with a majority of literature studies reporting improved …
Limits to hole mobility and do** in copper iodide
Over one hundred years have passed since the discovery of the p-type transparent
conducting material copper iodide, predating the concept of the “electron–hole” itself …
conducting material copper iodide, predating the concept of the “electron–hole” itself …
Oxygen Dimerization as a Defect-Driven Process in Bulk LiNiO2
To explore the possibility of oxygen dimerization─ particularly, the formation of molecular
oxygen-like species─ in the bulk of LiNiO2 lithium ion cathode materials at high states of …
oxygen-like species─ in the bulk of LiNiO2 lithium ion cathode materials at high states of …
Band versus polaron: Charge transport in antimony chalcogenides
Antimony sulfide (Sb2S3) and selenide (Sb2Se3) are emerging earth-abundant absorbers
for photovoltaic applications. Solar cell performance depends strongly on charge-carrier …
for photovoltaic applications. Solar cell performance depends strongly on charge-carrier …
[HTML][HTML] A review of chalcogenide-based perovskites as the next novel materials: Solar cell and optoelectronic applications, catalysis and future perspectives
The increasing demand for renewable energy has stimulated significant advancements in
the photovoltaic technology (PV), with perovskite solar cells (PSCs) emerging as leading …
the photovoltaic technology (PV), with perovskite solar cells (PSCs) emerging as leading …
Machine-learning structural reconstructions for accelerated point defect calculations
Defects dictate the properties of many functional materials. To understand the behaviour of
defects and their impact on physical properties, it is necessary to identify the most stable …
defects and their impact on physical properties, it is necessary to identify the most stable …
Oxygen vacancy formation energy in metal oxides: High-throughput computational studies and machine-learning predictions
The oxygen vacancy formation energy (Δ E vf) governs defect concentrations alongside the
entropy and is a useful metric to perform materials selection for a variety of applications …
entropy and is a useful metric to perform materials selection for a variety of applications …