Results 81 to 90 of about 5,067 (191)

Crystal Structure Prediction of Inorganic Materials: A Benchmark and Modern Evaluation

Advanced Intelligent Discovery, EarlyView.
Predicting a crystal’s structure from composition alone is a long‐standing challenge in materials discovery. The CSP180 benchmark of 180 inorganic crystals evaluates thirteen crystal structure prediction algorithms requiring no density functional theory (DFT) against DFT‐based baselines across twelve metrics.
Lai Wei, Sadman Sadeed Omee, Rongzhi Dong, Nihang Fu, Yuqi Song, Edirisuriya M. Dilanga Siriwardane, Meiling Xu, Ming Hu, Chris Wolverton, Jianjun Hu   +9 more
wiley   +1 more source

Infinite Functional Versatility, Formidable Limits: Evaluating Gallium‐Based Liquid Metals in Rechargeable Batteries

Carbon Energy, EarlyView.
Beyond the hype surrounding the self‐healing properties of gallium‐based liquid metals (Ga‐LMs), this perspective critically examines their functional roles in metal‐ion batteries, highlighting both their underlying merits and the often‐overlooked challenges, including non‐representative design and testing configurations, performance overestimations ...
Turly P. P. Sumanasekara, Petar Jovanović, Ali Zavabeti, Dan Yang, Mainak Majumder, Anthony F. Hollenkamp, Torben Daeneke, Mahdokht Shaibani   +7 more
wiley   +1 more source

Redefining the Nitrogen Cycle Through Electronic Configuration Driven Electrocatalysis for Low Carbon Energy

Carbon Energy, EarlyView.
This review reveals how electronic configuration engineering governs the entire electrocatalytic nitrogen cycle, providing structure‐informed insights into reaction selectivity, catalytic durability, and sustainable nitrogen utilization across energy and environmental systems. ABSTRACT The global nitrogen cycle is essential to food production, chemical
Jiamu Feng, Linai Zhou, Mincan Yang, Aoxiang Zhu, Zengfeng Wei, Weilin Xu, Jia Li, Jun Wan   +7 more
wiley   +1 more source

Transition Metal Compounds as Thermochromic Materials: Classification, Properties, Limitations, and Applications

EcoEnergy, EarlyView.
This review systematically examines how different transition metal compounds—such as binary and multinary metal oxides, halides, sulfides, and salts—exhibit thermochromism based on the d‐electron configurations of their transition metal cations. It focuses on three main mechanisms of thermochromism: phase transition, charge transfer, and bandgap change.
Jie Wang, Shan Wang, Long Yuan, Ling Zuo, Hui Qi, Changmin Hou   +5 more
wiley   +1 more source

Co‐Catalyst/Semiconductor Interface Coupling Design for Efficient Solar‐Driven Photocatalysis

EcoEnergy, EarlyView.
Interfacial coupling strength is proposed as a unifying descriptor governing charge‐transfer behavior in co‐catalyst/semiconductor photocatalytic systems. This review establishes a coupling‐strength‐guided framework that correlates interface engineering strategies with charge transport pathways, electronic structure regulation, and photocatalytic ...
Fangxu Dai, Zhiyu Song, Meiyan Qiu, Zhen Zhang, Dan Zhang, Xiaobo Chen, Yun Hau Ng, Xin Li   +7 more
wiley   +1 more source

Synergistic Catalysis for Closed‐Loop Alcohol Refining: Concurrent H2 Evolution and Selective Oxidation

EcoEnergy, EarlyView.
Photocatalytic, electrocatalytic, and photoelectrocatalytic systems exhibit a clear synergistic integration logic in closed‐loop alcohol refining—concurrently driving hydrogen evolution and selective alcohol oxidation to enable the directed conversion of alcohols into high‐value chemicals.
Wei Ren, Jinhe Li, Banghu Wei, Mohamed Hussein Abdurahman, Ahmad Zuhairi Abdullah, Xiaohui Yu, Weikang Wang, Qinqin Liu   +7 more
wiley   +1 more source

Nonthermal Plasma–Enabled Cascade N2 Activation and Electroreduction

EcoEnergy, EarlyView.
Integrating plasma‐assisted NOx synthesis with subsequent electrochemical reduction enables the sustainable synthesis of high‐value N‐containing chemicals under ambient conditions. ABSTRACT The development of sustainable nitrogen fixation technologies operating under ambient conditions is critical for reducing the energy intensity and carbon footprint ...
Shijia Li, Wei Gao, Ziyun Wang
wiley   +1 more source

Low‐Dimensional Materials and Van Der Waals Heterostructures for Energy Application: A Comprehensive Review

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
Low‐dimensional materials (0D, 1D, and 2D) exhibit unique electronic and physicochemical properties, enabling advanced nanoelectronic and optoelectronic devices. Mixed‐dimensional heterostructures combine these materials to enhance functionality.
Qaisar Alam, Sajjad Ali, Pir Muhammad Ismail, ABM Sharif Hossain   +3 more
wiley   +1 more source

Gas–Solid Interface‐Assisted Growth of Organic Semiconductor Single Crystals: Dimensions, Structures, Mechanisms, and Applications

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
Gas–solid interface‐assisted growth strategies have unlocked precise control over crystal structure, morphology, dimension, and molecular packing. The obtained organic semiconductor single crystals represent the ideal candidates for high‐performance organic optoelectronic devices.
Tingyi Yan, Qing Tian, Jinwen Wang, Ke Jiang, Yage Han, Yuanzhuang Ren, Lingyun Li, Xiujuan Zhang, Jiansheng Jie   +8 more
wiley   +1 more source

Editorial for the Special Issue on GaN-Based Materials and Devices: Research and Applications

Micromachines
Gallium nitride (GaN)-based materials and devices, as a core representative of third-generation semiconductors, have emerged as a strategic frontier driving modern electronics and optoelectronics revolutions [...]
Wei Liu, Kun Wang
doaj   +1 more source