Results 211 to 220 of about 1,015,340 (312)

Thermal Phase‐Modulation of Thickness‐Dependent CVD‐Grown 2D In2Se3

Advanced Functional Materials, EarlyView.
A comprehensive study of CVD‐grown 2D In2Se3 reveals a distinct thickness‐dependent phase landscape and a reversible, thermally driven transformation between β″ and β* variants. In situ TEM electron diffraction and Raman spectroscopy reveal structural dynamics, while the structural invariance of the α‐phase in ultrathin regimes highlights its stability—
Dasun P. W. Guruge, Zhenhuan Chen, Joseph F. S. Fernando, Chao Zhang, Liangzhi Kou, Konstantin L. Firestein, Dmitri V. Golberg   +6 more
wiley   +1 more source

A screening strategy for bioactive components from Amaranth: An integrated approach of network pharmacology, molecular docking and molecular dynamics simulation. [PDF]

PLoS One
Zhao Z, Huang Z, Wang K, Zhang H, Ren Y, Tong J.   +5 more
europepmc   +1 more source

MDAnalysis: A toolkit for the analysis of molecular dynamics simulations

Journal of Computational Chemistry, 2011
Naveen Michaud-Agrawal, Elizabeth J. Denning, T. Woolf, O. Beckstein   +3 more
semanticscholar   +1 more source

Curved Nanographene–Graphite Hybrid Anodes with Sequential Li+ Insertion for Fast‐Charging and Long‐Life Li‐Ion Batteries

Advanced Functional Materials, EarlyView.
A hybrid anode composed of Cl‐functionalized curved nanographene and graphite enables ultra‐fast charging and long cycle life through an engineered morphology and sequential Li+ insertion. It delivers 100 mAh g−1 at 5 C with 70% capacity retention after 1000 cycles and maintains stable performance over 2000 cycles in pouch cells, providing a practical ...
Hyunji Cha, Minsung Kang, Seung Hak Oh, Jee Ho Ha, Jeongmi Joo, Dae Hyeon Kwon, Sang Kyu Kwak, Seokhoon Ahn, Seok Ju Kang   +8 more
wiley   +1 more source

Molecular dynamics simulation and experimental study of electrochemical dissolution properties of 440C stainless steel. [PDF]

iScience
Wen X, Chen Y, Zhu F, Li X, Lin H, Jiang W.   +5 more
europepmc   +1 more source

One molecule to couple them all: Toward realistic numbers of molecules in multiscale molecular dynamics simulations of exciton-polaritons

Ilia Sokolovskii, Dmitry Morozov, Gerrit Groenhof   +2 more
openalex   +2 more sources

Covalent Organic Frameworks for Water Sorption: The Importance of Framework Physical Stability

Advanced Functional Materials, EarlyView.
This study explores the water‐vapor stability of 2D covalent organic frameworks (COFs) with varying pore sizes. Results reveal microporous COFs demonstrate superior stability compared to mesoporous ones, despite lower water uptake. Mesoporous keto‐enamine‐linked COFs show enhanced stability due to intralayer hydrogen bonds, confirmed by simulations and
Wei Zhao, He Li, Bui Duc Thuan, Weidong Chen, Qiang Zhu, Mounib Bahri, Boyu Li, Kexin Yu, Chengjun Kang, Ting Chen, Zekun Wang, Nigel D. Browning, Kian Jon Chua, Dan Zhao   +13 more
wiley   +1 more source

Specific and non-specific interactions of fibronectin with zwitterionic peptoid brushes studied by molecular dynamics simulation.

Phys Chem Chem Phys
Cheung DL, Messersmith PB, Lau KHA.
europepmc   +1 more source

Molecular Dynamics Simulation of Texture Contact Friction Between Crystalline Silicon Layers for Application in Micro-Nano System Devices. [PDF]

Molecules
Zhang J, Tan M, Yuan S, Wang F, Jia Y, Wang X.   +5 more
europepmc   +1 more source

Light‐Responsive Enzyme‐Loaded Nanoparticles for Tunable Adhesion and Mechanical Wound Contraction

Advanced Functional Materials, EarlyView.
This study presents a photoactivatable enzyme‐loaded mesoporous nanoparticle system (MPDA_PaTy) that enables light‐triggered tunable tissue adhesion and facilitates mechanical wound contraction. Controlled enzymatic crosslinking at tissue or hydrogel interfaces allows on‐demand adhesion.
Junghyeon Ko, Hyeon‐Jin Kim, Jeong‐Uk Kim, Seh Ri Oh, Tae Hoon Kang, Junghwan Byun, Uk‐Jae Lee, Minglin Ma, Su‐Hwan Kim, Byung‐Gee Kim, Nathaniel S. Hwang   +10 more
wiley   +1 more source