Results 131 to 140 of about 15,459,849 (275)
Atomic‐Scale Mechanisms of Anisotropic Thermal Decomposition in GeSn Alloys With Stepwise Pinning
Advanced Electronic Materials, EarlyView.Combining in situ TEM with DFT calculations, this work elucidates atomic‐scale anisotropic thermal decomposition in GeSn films, identifying laminar receding in defect‐free regions and stepwise pinning at stacking faults. Driven by crystallographic anisotropy and defect‐mediated energetic penalties, these findings establish a physical framework for ...
YiXin Wang +6 more
wiley +1 more source
Balancing Carrier Cooling in InN/GaN Quantum Wells via Point Defect Engineering
Advanced Electronic Materials, EarlyView.Nitrogen vacancies in the InN/GaN interface regulate carrier relaxation in polar quantum wells by reconstructing the conduction‐band decay pathway and enhancing nonadiabatic coupling. No deep midgap state is introduced in the neutral single‐vacancy model, enabling faster hot‐electron cooling, improved electron‐hole balance, reduced electron overflow ...
Yuxin Yang +5 more
wiley +1 more source
Photo‐Dielectric Synaptic Plasticity in Zn‐Doped BaAl2O4
Advanced Electronic Materials, EarlyView.Localized photoexcited electrons in 2٠ZnO3‐VO defect complexes enable persistent and programmable photo‐dielectric modulation in Zn‐substituted BaAl2O4, giving rise to synaptic‐like plasticity under pulsed light irradiation. ABSTRACT Optically reconfigurable dielectrics represent an emerging route toward low‐power, spatially addressable neuromorphic ...
Masashi Sugino +4 more
wiley +1 more source
Advancing Energy Materials by In Situ Atomic Scale Methods
Advanced Energy Materials, Volume 15, Issue 11, March 18, 2025.Progress in in situ atomic scale methods leads to an improved understanding of new and advanced energy materials, where a local understanding of complex, inhomogeneous systems or interfaces down to the atomic scale and quantum level is required. Topics from photovoltaics, dissipation losses, phase transitions, and chemical energy conversion are ...
Christian Jooss +21 more
wiley +1 more source
, 2012 In condensed matter physics and quantum chemistry, ab initio simulations are becoming the standard method for investigating properties of materials.
Di Napoli, E.
core
Deciphering Intricacies in Directional CO2 Conversion From Electrolysis to CO2 Batteries
Advanced Energy Materials, EarlyView.This review will delve into the inherent connections and distinctions of CO2‐directed conversion in ECO2RR and CO2 batteries, in terms of product types, catalyst selection, catalytic mechanisms, and electrochemical performances, while proposing a benchmarking framework for the evaluation of CO2 batteries and innovative CO2 battery configurations for ...
Changfan Xu +5 more
wiley +1 more source
Advanced Energy Materials, EarlyView.This work reports 2D MXene‐derived TiN thin films with (111)‐preferred orientation for transparent Ta3N5 photoanodes, demonstrating effective electron transfer behavior. All‐nitride electron‐collection architecture based on MXene‐derived TiN and n‐GaN resolves a long‐standing materials bottleneck between photocarrier transport and light transmission in
Jin Wook Yang +10 more
wiley +1 more source
Advanced Energy Materials, EarlyView.The influence of different electrolytes on Lithium–sulfur batteries is investigated. Multimodal operando analysis, including Raman, UV–vis, and Impedance spectroscopy is used to study degradation mechanisms. The solubility of polysulfides in the electrolyte is crucial for battery capacity and lifetime.
Oliver Löhmann +3 more
wiley +1 more source
Python suites for high-throughput calculations of the ab-initio quantum Monte Carlo methods
The TREXIO files used for the validation tests in the paper entitled TurboGenius: Python suite for high-throughput calculations of ab initio quantum Monte Carlo methods. The detail about the TREXIO library is described in the JCP article [J. Chem.
Sandro Sorella +4 more
core +1 more source