Results 131 to 140 of about 167,696 (254)

Protein Model Quality Estimation Using Molecular Dynamics Simulation

ACS Omega, 2022
Jason Kurniawan, Takashi Ishida
doaj   +1 more source

Efficient NiOx Hole Transport Layers Enabled by Multifunctional MXenes for High‐Performance Tin‐Lead Perovskite Solar Cells

Advanced Functional Materials, EarlyView.
An efficient NiOx HTL is successfully prepared by introducing MXene as an additive without further surface modification to fabricate high‐performance FASn0.5Pb0.5I3 perovskite solar cells. The introduction of MXene contributes to improved conductivity of NiOx, better aligned at NiOx/perovskite interfaces, and enhanced quality of perovskite films ...
Lijun Chen, Guanqi Tang, Yanghou Wang, Xiaolong Cao, Junjun Jin, Jie Tang, Liyang Yu, Zheng Zhou, Peng You, Hanlin Hu, Weiqing Yang, Qidong Tai, Feng Yan   +12 more
wiley   +1 more source

Investigation into Laser-Vibration-Assisted Cutting of Single-Crystal Silicon by Molecular Dynamics Simulation. [PDF]

Micromachines (Basel)
Chu J, Yang Y, Zang Y, Ke J, Wang Z, Chen C, He J, Xu A, She Z.   +8 more
europepmc   +1 more source

Toughening β‐Ga2O3 via Mechanically Seeded Dislocations

Advanced Functional Materials, EarlyView.
β‐Ga2O3 is promising for next‐generation semiconductors but its brittleness limits flexible and high‐precision applications. Here, mechanically seeded dislocations introduced by surface deformation improved damage tolerance in (001) β‐Ga2O3. Nanoindentation and characterization show dislocations suppress cleavage cracks by enabling stable plastic ...
Zanlin Cheng, Jiawen Zhang, Peng Gao, Guosong Zeng, Xufei Fang, Wenjun Lu   +5 more
wiley   +1 more source

Molecular Dynamics Simulation and Experimental Study on the Mechanical Properties of Functionalized Graphene-Enhanced PEEK/PTFE. [PDF]

Polymers (Basel)
Wang Y, Chen J, Tang H, Yang B, Wang S, Wang N.   +5 more
europepmc   +1 more source

Toward Scalable Solutions for Silver‐Based Gas Diffusion Electrode Fabrication for the Electrochemical Conversion of CO2 – A Perspective

Advanced Functional Materials, EarlyView.
In this study, the preparation techniques for silver‐based gas diffusion electrodes used for the electrochemical reduction of carbon dioxide (eCO2R) are systematically reviewed and compared with respect to their scalability. In addition, physics‐based and data‐driven modeling approaches are discussed, and a perspective is given on how modeling can aid ...
Simon Emken, K. Ashoke Raman, Alexander Bauer, Violeta Karyofylli, Eva Jodat, André Karl, Rüdiger‐A. Eichel   +6 more
wiley   +1 more source

Coarse-grained molecular dynamics simulation of gallic acid delivery using span60-based niosomes. [PDF]

Sci Rep
Najafian S, Marsusi F, Mirabbaszadeh K.
europepmc   +1 more source

Geometry‐Dependent Adhesion in Transparent Monodomain Liquid Crystal Elastomers

Advanced Functional Materials, EarlyView.
Liquid Crystal Elastomers (LCEs) are emerging as exciting pressure‐sensitive adhesives. We examine adhesion in chemically identical elastomer films, exploring the influence of geometry (director orientation) and phase (nematic or isotropic). We demonstrate the potential of these aligned films as transparent, tunable, broad‐temperature‐range smart ...
Aidan Street, Devesh Mistry, Johan Mattsson, Helen F. Gleeson   +3 more
wiley   +1 more source

Molecular dynamics simulation of Sunset Yellow dye removal from water using hydrochar adsorbent. [PDF]

Sci Rep
Ho TH, Van Le K, Nguyen PT, Nguyen L, Trinh TT.   +4 more
europepmc   +1 more source

Reprogramming Tumor Cell Death via Processing Natural Drug to Carbon Dots Overcomes Collagen Barrier and Activates Antitumor Immunity

Advanced Functional Materials, EarlyView.
A traditional Chinese medicine‐derived carbon dots nanoplatform reprograms tumor cell death from apoptosis to necroptosis, dismantling therapy‐induced collagen barriers and promoting immunogenic death. pH‐responsive hydrogel assembled from carbon dots for localized delivery, this strategy suppresses primary tumors and metastasis, offering a new ...
Zekun Yan, Hongwei Cheng, Yupeng Liu, Wenfeng Xu, Quansheng Cheng, Lingyun Li, Xue Wu, Yingqi Liang, Jing Zhao, Gang Liu, Shaoping Li, Songnan Qu   +11 more
wiley   +1 more source