First-principles calculations for point defects in solids

C Freysoldt, B Grabowski, T Hickel, J Neugebauer… - Reviews of modern …, 2014 - APS
Point defects and impurities strongly affect the physical properties of materials and have a
decisive impact on their performance in applications. First-principles calculations have …

Defect identification in semiconductors with positron annihilation:<? format?> Experiment and theory

F Tuomisto, I Makkonen - Reviews of Modern Physics, 2013 - APS
Positron annihilation spectroscopy is particularly suitable for studying vacancy-type
defects<? format?> in semiconductors. Combining state-of-the-art experimental and …

Comprehensive H2O Molecules Regulation via Deep Eutectic Solvents for Ultra‐Stable Zinc Metal Anode

M Li, X Wang, J Hu, J Zhu, C Niu, H Zhang… - Angewandte …, 2023 - Wiley Online Library
The corrosion, parasitic reactions, and aggravated dendrite growth severely restrict
development of aqueous Zn metal batteries. Here, we report a novel strategy to break the …

: A Topological Kagome Metal with a Superconducting Ground State

BR Ortiz, SML Teicher, Y Hu, JL Zuo, PM Sarte… - Physical Review Letters, 2020 - APS
Recently discovered alongside its sister compounds KV 3 Sb 5 and RbV 3 Sb 5, CsV 3 Sb 5
crystallizes with an ideal kagome network of vanadium and antimonene layers separated by …

Tuning metal single atoms embedded in N x C y moieties toward high-performance electrocatalysis

M Ha, DY Kim, M Umer, V Gladkikh… - Energy & …, 2021 - pubs.rsc.org
Noble nanoparticle (NP)-sized electrocatalysts have been exploited for diverse
electrochemical reactions, in particular, for an eco-friendly hydrogen economy such as water …

Crystal Thermal Transport in Altermagnetic

X Zhou, W Feng, RW Zhang, L Šmejkal, J Sinova… - Physical review …, 2024 - APS
We demonstrate the emergence of a pronounced thermal transport in the recently
discovered class of magnetic materials—altermagnets. From symmetry arguments and first …

Bioinspired copper single‐atom catalysts for tumor parallel catalytic therapy

X Lu, S Gao, H Lin, L Yu, Y Han, P Zhu… - Advanced …, 2020 - Wiley Online Library
The oxidation of intracellular biomolecules by reactive oxygen species (ROS) forms the
basis for ROS‐based tumor therapy. However, the current therapeutic modalities cannot …

Moiré quantum chemistry: charge transfer in transition metal dichalcogenide superlattices

Y Zhang, NFQ Yuan, L Fu - Physical Review B, 2020 - APS
Transition metal dichalcogenide (TMD) bilayers have recently emerged as a robust and
tunable moiré system for studying and designing correlated electron physics. In this Rapid …

General theory for bilayer stacking ferroelectricity

J Ji, G Yu, C Xu, HJ **ang - Physical review letters, 2023 - APS
Two-dimensional (2D) ferroelectrics, which are rare in nature, enable high-density
nonvolatile memory with low energy consumption. Here, we propose a theory of bilayer …

Porphyrin‐based Donor–Acceptor Covalent Organic Polymer/ZnIn2S4 Z‐Scheme Heterostructure for Efficient Photocatalytic Hydrogen Evolution

C Cui, X Zhao, X Su, N **, X Wang, X Yu… - Advanced Functional …, 2022 - Wiley Online Library
The construction of a Z‐scheme photocatalytic system is significant in realizing efficient
water splitting for hydrogen (H2) evolution. Herein, a novel donor–acceptor covalent organic …