Results 201 to 210 of about 1,015,340 (312)
Exploring non-adiabaticity to CO reduction reaction through ab initio molecular dynamics simulation
, 2020 Fan Zheng, Lin‐Wang Wang
openalex +1 more source
Combined Monte Carlo and Molecular Dynamics Simulation of Fully Hydrated Dioleyl and Palmitoyl-oleyl Phosphatidylcholine Lipid Bilayers [PDF]
, 1999 S.-W. Chiu +3 more
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Advanced Functional Materials, EarlyView.This work presents the first example of multifunctional protein eutectogels based on a tannic acid: betaine low‐transition‐temperature mixture, exhibiting elastomeric behavior, strong adhesion to various substrates, including biological tissues, and notable anti‐inflammatory properties derived from the natural polyphenol and zwitterion.
Sergio Martin‐Saldaña +8 more
wiley +1 more source
Dislocation analysis and structural characteristics of feal alloys under different heating rates using molecular dynamics simulation. [PDF]
Sci RepRidwan R, Sudarno S, Nuriana W.
europepmc +1 more source
Highly Selective Toward HER or CO2RR by Regulating Cu Single and Dual Atoms on g‐C3N4
Advanced Functional Materials, EarlyView.This systematic study provides insights into the design of electrocatalysts for hydrogen evolution reaction (HER) and carbon dioxide reduction (CO2RR). It serves as a useful guide for tuning catalyst architecture toward efficient multifunctional performance by varying synthetic parameters, demonstrating the impact of copper (Cu) species ranging from ...
Wan‐Ting Chen +9 more
wiley +1 more source
Effect of Crystal Structure Anisotropy on the Corrosion Characteristics of Metals in Liquid Lead: A Molecular Dynamics Simulation Study. [PDF]
Materials (Basel)Liang N +7 more
europepmc +1 more source
Advanced Functional Materials, EarlyView.This review summarizes recent advances in closed‐cell in situ TEM strategies for accurate determination of the activity and stability of single‐atom catalyst systems during operation. Operando conditions causing dynamic changes of SAC systems are highlighted and we explain why ensemble average‐based optical techniques may benefit from the technological
Martin Ek +4 more
wiley +1 more source
Integrating machine learning and molecular dynamics simulation to decipher the molecular network of dioxin-associated liposarcoma. [PDF]
Sci RepChenhe Z +10 more
europepmc +1 more source