Results 171 to 180 of about 147,634 (282)

Dynamic Control of Band Alignment and Built-In Potential in High Performance Self-Powered InSe/SnS₂ Van der Waals Photodetectors via Gas Molecular Physisorption. [PDF]

Small Sci
Cao Z, Abid M, Ó Coileáin C, An F, Chang CR, Wu YR, Wu HC.   +6 more
europepmc   +1 more source

Lifshitz Transition in Correlated Topological Semimetals

Advanced Science, EarlyView.
Theoretical calculations reveal that in YPtBi and GdPtBi, strong electronic correlations shift topological Dirac nodes away from the Fermi level by forming large hole pockets. This effect is sensitive to temperature and arises from interactions among 4d or 4f electrons, offering insights into Fermi surface engineering in quantum materials.
Byungkyun Kang, Myoung‐Hwan Kim, Chul Hong Park, Anderson Janotti, Eunja Kim   +4 more
wiley   +1 more source

Toward Chemical Accuracy for Chemi- and Physisorption with an Efficient Density Functional. [PDF]

J Phys Chem C Nanomater Interfaces
Kothakonda M, Patra A, Zhang R, Ning J, Furness J, Zhao Q, Sun J.   +6 more
europepmc   +1 more source

Atomic Defects in Layered Transition Metal Dichalcogenides for Sustainable Energy Storage and the Intelligent Trends in Data Analytics

Advanced Science, EarlyView.
This review comprehensively summarizes the atomic defects in TMDs for their applications in sustainable energy storage devices, along with the latest progress in ML methodologies for high‐throughput TEM data analysis, offering insights on how ML‐empowered microscopy facilitates bridging structure–property correlation and inspires knowledge for precise ...
Zheng Luo, Ying Yang, Zizhen Fu, Fengqi Liu, Susu Fang, Kele Xu, Shanshan Wang   +6 more
wiley   +1 more source

Theoretical Investigation of the Adsorption Behavior of Caffeine, Nicotine, and Dopamine Molecules Using 2D Monolayers. [PDF]

ACS Omega
Feng CL, Luo X.
europepmc   +1 more source

Atomic Tuning of Metal‐Support Interactions for Pathway‐Selective CO2 Photoreduction on TiO2

Advanced Science, EarlyView.
Single‐atom Fe and Cu catalysts anchored on TiO2 steer photocatalytic CO2 reduction toward distinct pathways. Fe sites favor rapid *CO desorption and selective CO formation, whereas Cu sites stabilize *CHO intermediates, enabling deep reduction and C─C coupling. Combined spectroscopy and DFT calculations reveal how metal–support interactions and oxygen
Dongyun Kim, Wonjae Ko, Byoung‐Hoon Lee, Sanghoon Kim, Yun Do Kim, Hyunsoo Ahn, Yoon Jung, Chan Woo Lee, Kug‐Seung Lee, Eunhee Gong, Junho Lee, Minho Kim, Taeghwan Hyeon, Su‐Il In   +13 more
wiley   +1 more source

Investigating the Therapeutic Activity of C₄N as a Targeted Drug Delivery System for Acetaminophen and Thioguanine through DFT Simulations. [PDF]

ACS Omega
Nazeer M, Yar M, Ayub K, Bayach I, Almutlaq N, Al Amer K.   +5 more
europepmc   +1 more source

A Chirality‐Converted Bacteriolytic Dodecapeptide Regulates Vibrio‐Induced Polymicrobial Infection and Ameliorates Invasion‐Associated Gut Microbiota Disequilibrium

Advanced Science, EarlyView.
Multidrug‐resistant Vibrio infections are rising rapidly and threaten coastal populations worldwide. This study introduces D‐zp37, a chirality‐engineered antimicrobial peptide with exceptional potency against resistant Vibrio species. D‐zp37 kills planktonic cells, blocks mixed‐species biofilms, disrupts essential bacterial stress responses, and shows ...
Ping Zeng, Qipeng Cheng, Xiaoxu Zhang, Honglan Wang, Jinghan Zhang, Xinyi Ding, Pengfei Zhang, Lanhua Yi, Kwok‐Yin Wong, Kin‐Fai Chan, Sheng Chen, Sharon Shui Yee Leung   +11 more
wiley   +1 more source

Peptide-Carbon Nanotube Hybrids under Confinement: Structure and Stability from Atomistic Simulations. [PDF]

ACS Omega
Mendanha K, Colherinhas G.
europepmc   +1 more source

Breaking the Toughness‐Stretchability Trade‐Off in Hydrogels with Dynamic Hydrogen Bonding

Advanced Science, EarlyView.
A novel nanocomposite hydrogel architecture overcomes the inherent conflict between toughness and stretchability by integrating uniformly dispersed aminopropyl‐hybrid‐phyllosilicate nanosheets within a polyacrylamide matrix. This design leverages a dynamic hydrogen‐bonding network to facilitate efficient energy dissipation and self‐recovery.
Yining Gao, Yong Tao, Roland J.‐M. Pellenq, Fazhou Wang   +3 more
wiley   +1 more source