Results 191 to 200 of about 34,772 (314)

Influence of Germanium Substitution on the Crystal Chemistry and Dielectric Properties of Mg₂SnO₄. [PDF]

Materials (Basel)
Chen YC, Shen CH, Pan CL, Tai CH.
europepmc   +1 more source

Hierarchical Embedded Sphere Model: An Interpretable ML‐Guided Multiscale Descriptor Engineering Decodes OER Activity on TM@MO2 Catalysts

Advanced Science, EarlyView.
Hierarchical Embedded Sphere Model combines DFT and interpretable machine learning to decode catalytic activity on TM‐doped MO2. It disentangles global electronic, active‐site, and local coordination effects, revealing two activation mechanisms: dopant‐driven (Rh@MO2) and coordination‐mediated (Fe@ZrO2).
Ziyuan Li, Shan Gao, Yunhan Wang, Yueyu Zhang, Weichao Wang, Xiangmei Duan   +5 more
wiley   +1 more source

Impact of Octahedral Aluminum Sites on Guest Molecule Adsorption in Zeolites: A Computational Study of 5-Fluorouracil in Zeolite FAU. [PDF]

Chemistry
Fischer M.
europepmc   +1 more source

Addressing Oxygen Embrittlement in Additively Manufactured Titanium via Cu‐Mediated Interstitial Site Engineering

Advanced Science, EarlyView.
A novel “Cu‐mediated interstitial site engineering” strategy is introduced to thermodynamically stabilize hexagonal oxygen (hex‐O) configurations in oxygen‐containing titanium alloys. The hex‐O configuration activates multiple slip systems and enhances dislocation pinning via long‐range repulsion.
Xiaobin Lin, Xudong Rong, Jiachen Xie, Xinru Wang, Jianteng Wang, Zhihang Xu, Dongdong Zhao, Shiwei Pan, Feng Qian, Longlong Ma, Gang Sha, Xiang Zhang, Chunsheng Shi, Chunnian He, Naiqin Zhao   +14 more
wiley   +1 more source

Watching tetrahedral intercalation in transition metal hydroxides <i>in situ</i>. [PDF]

Natl Sci Rev
Liz-Marzán LM.
europepmc   +1 more source

Nanozymes for Energy and Environmental Sustainability

Advanced Science, EarlyView.
At present, the widely used nanozymes are oxidoreductase and hydrolase, which have proved to have great application prospects in energy and environment. ABSTRACT Nanozymes have shown remarkable promise in addressing pressing challenges in energy and environmental sustainability.
Xiaoqi Li, Jinxing Chen, Shaojun Dong
wiley   +1 more source

Surface-Driven Electron Localization and Defect Heterogeneity in Ceria. [PDF]

J Am Chem Soc
Zhang X, Yoko A, Zhou Y, Jee W, Mayoral A, Liu T, Guan J, Lu Y, Keal TW, Buckeridge J, Ninomiya K, Nishibori M, Yamamoto S, Matsuda I, Adschiri T, Terasaki O, Woodley SM, Catlow CRA, Sokol AA.   +18 more
europepmc   +1 more source

Reaction Mechanism, Challenges, and Strategies of High‐Energy‐Density Sodium‐Ion Batteries

Advanced Science, EarlyView.
Focusing on high‐energy‐density sodium‐ion batteries, this review highlights the advantages offered by conversion‐type cathode materials. The currently studied cathode materials are systematically introduced. By analyzing sulfur, oxygen, and transition metal halides and other conversion‐type cathodes, the key challenges associated with these cathodes ...
Dan Yu, Yuxin Cui, Qinghao Chen, Lu Gao, Xia Liu, Tianci Li, Wenju Zhu, Quanxiang Li, Weimin Kang   +8 more
wiley   +1 more source

Field-Gated Anion Transport in Nanoparticle Superlattices Controlled by Charge Density and Ion Geometry: Insights from Molecular Dynamics Simulations. [PDF]

Biomolecules
Su Y, Huang J, Yang Z, Jiang Y, Zhou R.
europepmc   +1 more source

Water Vapor‐Enhanced Selective Production of Methane During Photothermal CO2 Reduction: Mechanistic Insights Into Boron‐Doped Nickel Catalysts

Advanced Science, EarlyView.
Boron‐doped nickel catalysts achieve exceptional photothermal CO2 methanation performance, reaching 195.85 mmol g−1 h−1 CH4 yield with 80.21% selectivity through optimized H2/H2O feeding. Boron doping modulates the Ni d‐band center, strengthening CO adsorption and facilitating subsequent hydrogenation.
Cong Wan, Yiming Li, Min Liu, Honglei Zhang, Jianwen Zhang, Chengrui Xie, Huiwen Zhu, Zijun Yan, Chengheng Pang, Tao Wu   +9 more
wiley   +1 more source