Results 151 to 160 of about 9,130,676 (246)

Role of Structural Disorder on Phonon Transport and Thermal Conductivity in Li6PS5Br

Advanced Functional Materials, EarlyView.
Solid electrolytes are fast ion and slow heat conductors. Although both transport properties are governed by lattice dynamics and atomic structure, their interplay remains poorly understood. Here, we study this interrelation in anion‐ordered and disordered Li6PS5Br.
Lukas Ketter, Ryoma Sasaki, Kyra Strotmann, Wolfgang G. Zeier, Yoshitaka Tateyama   +4 more
wiley   +1 more source

Evaluation of the Therapeutic Potential of Natural Peptides Against Hemagglutinin-Esterase of Bovine Coronavirus Based on Molecular Dynamics Simulation Studies. [PDF]

Vet Med Int
Al-Battat MAH, Gharouni M, Nassiri M, Javadmanesh A, Asoodeh A, Tohidi R.   +5 more
europepmc   +1 more source

Insulating‐Passivating Interfaces for Narrow‐Bandgap Tin‐Lead Perovskites Enable High‐Photovoltage in Single‐ and Double‐Junction Solar Cells

Advanced Functional Materials, EarlyView.
Combining field‐effect surface passivation of a narrow‐bandgap tin–lead perovskite by diammonium ions with introducing oleyl‐based amphiphiles to create insulating interface layers between the absorber and the adjacent hole and electron transporting layers increases the open‐circuit voltage to 91.5% of the detailed‐balance limit and enhances the power ...
Vishnu Vijayakumar, Christ H. L. Weijtens, Laura Bellini, Nick R. M. Schipper, Isabella Taupitz, Maxim Simmonds, Johannes C. Lambooij, Anuja Vijayan, Lana M. Kessels, Simon V. Quiroz Monnens, Guus J. W. Aalbers, Willemijn H. M. Remmerswaal, Stefan C. J. Meskers, Shuaifeng Hu, Junke Wang, Martijn M. Wienk, Henry J. Snaith, Steve Albrecht, René A. J. Janssen   +18 more
wiley   +1 more source

Molecular Dynamics Simulation of the Interfacial Characteristics of Functionalized Carbon Nanotube-Polyimide Composites. [PDF]

Polymers (Basel)
Zou Y, Liu Y, Zha X, Wang A, Wang Z, Qian J.   +5 more
europepmc   +1 more source

GeS as an Emerging OTS Material: Atomic Structure and Modeling of ON/OFF Switching

Advanced Functional Materials, EarlyView.
The structural puzzle of glassy GeS, an advanced memory‐selector material, has finally been disentangled, revealing a patchwork of mixed tetrahedral and trigonal species. Under a high electric field, over‐ and under‐coordinated Ge and S defects, together with three‐membered rings, form an interconnected network associated with localized and extended ...
Andrey Tverjanovich, Jörg C. Neuefeind, Chris J. Benmore, Daniele Fontanari, Anton Sokolov, Maxim Khomenko, Shinji Kohara, Aleksei Bytchkov, Takeshi Usuki, Maria Bokova, Mohammad Kassem, Pascal Masselin, Mariana Milochova, Eugene Bychkov   +13 more
wiley   +1 more source

Protein Model Quality Estimation Using Molecular Dynamics Simulation

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

CO2 Capture by Hyperbranched Poly(alkylene imine) Thin Films: A Molecular Dynamics Simulation Approach. [PDF]

J Phys Chem B
Weber Nakamura GR, Chen J, Kwon SH, Jang SS.   +3 more
europepmc   +1 more source

Remote Activation of Wnt Signaling and Cell Proliferation by E‐Cadherin Magnetomechanical Stimulation

Advanced Functional Materials, EarlyView.
A pioneering magnetogenetic toolkit enables non‐invasive, precise spatiotemporal modulation of intracellular Wnt/β‐catenin signaling. Functionalized magnetic nanoparticles (MNPs@E/EC15) target cellular E‐cadherins to generate localized magnetomechanical forces under low‐intensity magnetic fields.
Christian Castro‐Hinojosa, Pablo Martínez‐Vicente, Lucía G. Recaredo, Susel Del Sol‐Fernández, Pilar Gomollón‐Zueco, Yilian Fernández‐Afonso, Raluca M. Fratila, María Moros   +7 more
wiley   +1 more source

Research on the influence of bisphenol A on precocious puberty based on network toxicology and molecular dynamics simulation. [PDF]

Front Endocrinol (Lausanne)
Nie R, Huang F, Zhan Y, Li L, Deng Y, Tian L, Luo J, Liang B, Yang W.   +8 more
europepmc   +1 more source

Configuration‐Encoded Cell Alignment by Light‐Gated Silicon Photovoltaic Microcell Arrays

Advanced Functional Materials, EarlyView.
Light‐gated silicon photovoltaic microcells convert pulsed illumination into localized electrical cues. Arranging otherwise similar microcells into four‐lobed, six‐lobed, or circular patterns directs fibroblasts into corresponding local arrangements without wired stimulation.
Yifan Tao, Ilayda Namli, Joseph Christakiran Moses, Youdi Liu, Suihong Liu, Syed Hasan Askari Rizvi, Yasar Ozer Yilmaz, Ibrahim T. Ozbolat   +7 more
wiley   +1 more source