Results 211 to 220 of about 689,791 (288)

Methylation‐Induced Permanent Charge Polarization in Covalent Organic Frameworks for Visible Light‐Driven Water Decontamination and Disinfection

Advanced Science, EarlyView.
A targeted in situ methylation strategy is developed to engineer cationic centers in a quinoline‐linked COF (NQ‐COFS1‐Me), creating a strong built‐in electric field, which effectively suppresses excitonic effects and promotes charge separation. The optimized material demonstrates powerful photocatalytic ROS generation for rapid bacterial inactivation ...
Xuewen Peng, Huaji Pang, Niu Feng, Dekang Huang, Chunpeng Jiao, Jingbin Zeng, Yonggang Xiang, Yiping Chen   +7 more
wiley   +1 more source

Recrystallization Mechanisms of Aluminum and Aluminum Oxide Interfaces through Reactive Simulations. [PDF]

JACS Au
Zhao H, Bresme F.
europepmc   +1 more source

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

Associations of Community Material Neighborhood Deprivation With the Diagnosis of Asthma Among Infants With Bronchopulmonary Dysplasia (BPD). [PDF]

Pediatr Pulmonol
Szeto JJ, Boom K, Radack JK, DeMauro SB, Kenyon CC, Novick-Goldstein NP, Scott KA, Murosko DC, Gibbs KA, Lorch SA, Moore PE, Burris HH, Nelin TD.   +12 more
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

Activation entropy of dislocation glide in body-centered cubic metals from atomistic simulations. [PDF]

Nat Commun
Allera A, Swinburne TD, Goryaeva AM, Bienvenu B, Ribeiro F, Perez M, Marinica MC, Rodney D.   +7 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

Carnot and Joule Cycles Implied in Generalized Entropy and Exergy Properties as Fundamentals of Extrema Principles. [PDF]

Entropy (Basel)
Palazzo P.
europepmc   +1 more source