Results 181 to 190 of about 42,404 (263)

Phase Diagrams and Piezoelectric Properties of Wurtzite Al1−x−yScxGdyN Heterostructural Alloys

Advanced Science, EarlyView.
This study demonstrates ferroelectricity and piezoelectric properties improvement of quaternary wurtzite Al1−x−yScxGdyN${\rm Al}_{1-x-y}{\rm Sc}_x{\rm Gd}_y{\rm N}$ films, guided by density functional theory calculations. Wurtzite Al1−x−yScxGdyN${\rm Al}_{1-x-y}{\rm Sc}_x{\rm Gd}_y{\rm N}$ films have a high optical bandgap, enhanced piezoelectric ...
Julia L. Martin, Cheng‐Wei Lee, Nate S.P. Bernstein, Thi Nguyen, Ande Bryan, Eli Cooper, John S. Mangum, Sage R. Bauers, Andriy Zakutayev, Keisuke Yazawa, Prashun Gorai, Rebecca W. Smaha   +11 more
wiley   +1 more source

Label-Free Single-Molecule Conalbumin Analysis. [PDF]

Micromachines (Basel)
Zhao T, Ren X, Gordon R.
europepmc   +1 more source

Computation‐Guided Dual‐Site Electrocatalysts for Record‐Performance Nitrite‐to‐Ammonia Conversion

Advanced Science, EarlyView.
Designing Cu doped ZnO catalysts for NO2RR via first principles calculation and boosting electrocatalytic nitrite reduction through Cu‐ZnO synergistic deoxygenation, hydrogenation, and NH3 desorption. Cu doping elevates the d‐band center of Zn, strengthening *NO2 binding and deoxygenation, while ZnO sites regulate water adsorption and dissociation ...
Hui Zhang, Haiyan Duan, Donglin Han, Zhenlin Wang, Xingchi Li, Dengchao Peng, Lupeng Han, Tianting Pang, Evangelina Pensa, Wenqiang Qu, Yongjie Shen, Haotian Wang, Wei Ren, Ming Xie, Emiliano Cortés, Dengsong Zhang   +15 more
wiley   +1 more source

<i>N</i>-Chlorination of Sulfonamides: DFT Study of the Reaction Mechanism. [PDF]

J Phys Chem A
Ljulj A, Škibola P, Turkalj D, Vrček V.   +3 more
europepmc   +1 more source

Asymmetric Cu─N─Ru Bridgedsite Nanozyme‐Loaded Injectable Thermogel Boosts Cuproptosis‐Like Death for Multidrug‐Resistant Urinary Tract Infections

Advanced Science, EarlyView.
To address multidrug‐resistant urinary tract infections (MDR‐UTIs), we developed Cu‐ZIF8‐Ru nanozyme featuring an asymmetric Cu─N─Ru catalytic site. This unique structure enhances multienzyme‐mimetic activity, eradicating resistant bacteria by inducing a cuproptosis‐like death pathway through intracellular Cu2+ accumulation and energy depletion.
Guanlin Li, Shike Zhang, Jinggong Liu, Xin Wang, Heng Wang, Hongcan Yang, Yuhao Zhou, Wen Liu, Hongxing Liu, Wenqi Wu   +9 more
wiley   +1 more source

How Does Adenine Form from Hydrogen Cyanide? [PDF]

J Am Chem Soc
Cappelletti M, Rahm M.
europepmc   +1 more source

Graph‐Theory Approach to Element Miscibility and Alloy Design

Advanced Science, EarlyView.
Graph and network theory enables pathway toward complex multiscale interactions between different elements for alloy design or interface engineering. Utilizing element's inherent properties and preferential interactivity, favorable mixed material formation, solubility and miscibility can be predicted.
Andrew Martin, Kien Nguyen, Sebastian Zaatini, Michael Lastovich, Bharat Gwalani, Paul Bogdan, Martin M. Thuo   +6 more
wiley   +1 more source

Benchmarking CuₙO (n = 1, 2) complexes via ab initio methods: structural, electronic, and thermodynamic insights with biochemical relevance. [PDF]

J Mol Model
Flores R, Soriano-Agueda L, Franco-Pérez M, Gómez-Balderas R.   +3 more
europepmc   +1 more source

Support‐Intensified Ir─P/O─Mo Cooperative Linkages for Robust Acidic Water Dissociation

Advanced Science, EarlyView.
An electrocatalyst with the coexisting Ir‐O‐Mo and Ir‐P‐Mo linkages is rationally synthesized for achieving exceptional bifunctional performance in acid solution. Abstract The efficient production of hydrogen via acidic water electrolysis is hampered by the sluggish kinetics of the oxygen evolution reaction (OER) and the scarcity of robust bifunctional
Jun Mei, Ruipeng Guo, Di Wang, Jing Shang, Jiahao Zhao, Juan Bai, Qianqian Yao, Shixue Dou   +7 more
wiley   +1 more source

Multi-scale simulations of complexation behavior of lanthanides and actinides with soft-hard donor-based ligands. [PDF]

Sci Rep
Ali SM.
europepmc   +1 more source