Results 171 to 180 of about 621,380 (345)

Molecular dynamics simulations of a fully hydrated dipalmitoylphosphatidylcholine bilayer with different macroscopic boundary conditions and parameters [PDF]

, 1996
D. Peter Tieleman, Herman J. C. Berendsen   +1 more
openalex   +1 more source

Enhancing Indoor Photovoltaic Efficiency to 37.6% Through Triple Passivation Reassembly and n‐Type to p‐Type Modulation in Wide Bandgap Perovskites

Advanced Functional Materials, EarlyView.
Triple Passivation Treatment (TPT) strategy enables 1.75 eV wide‐bandgap perovskite solar cells (WB‐PSCs) with suppressed halide phase segregation and n‐to‐p type surface transition. The photoluminescence quantum yield increases from 0.5 to 2.1%, indicating reduced non‐radiative losses.
Siming Huang, Shanyue Hou, Galyam Sanfo, Jingdong Xu, Yuting Wang, Himal Muwanwella, Lukas Pfeifer, Xiang Liu, Shaik M Zakeeruddin, Yuelong Huang, Michael Grätzel, Muhammad Tariq Sajjad, Mojtaba Abdi‐Jalebi   +12 more
wiley   +1 more source

Molecular dynamics simulation of structural anisotropy in glassy metals

, 1991
Toshiro Tomida, T. Egami
openalex   +1 more source

Molecular Dynamics Simulations of Protein-Tyrosine Phosphatase 1B. I. Ligand-Induced Changes in the Protein Motions [PDF]

, 1999
Günther H. Peters, Thomas M. Frimurer, Jannik N. Andersen, Ole H. Olsen   +3 more
openalex   +1 more source

Investigating the Structure–Function Relationships of Fluorinated Interfaces for PFAS Capture and Electrochemically‐Mediated Release

Advanced Functional Materials, EarlyView.
This study explores the use of fluorinated copolymers with varying fluorophilic side chain lengths to enhance PFAS affinity. The integration of electrochemical techniques demonstrates enhanced adsorbent regeneration, with molecular dynamics simulations providing insight into the molecular‐level interactions involved.
Anaira Román Santiago, Adrija Dutta, Jhen‐Cih Wu, Song Yin, Ye Won Lee, Chia‐Hung Hou, Diwakar Shukla, Xiao Su   +7 more
wiley   +1 more source

Dynamic mechanisms of the structural phase transitions in KNbO₃: Molecular dynamics simulations [PDF]

, 1999
M. Sepliarsky, M. G. Stachiotti, R. L. Migoni, Carlos O. Rodriguez   +3 more
openalex   +1 more source

Fast Neutron Detector Based on Hybrid 2D Perovskite Thin Films

Advanced Functional Materials, EarlyView.
This work presents the direct detection of fast neutrons using flexible hybrid 2D perovskite (PEA2PbBr4) thin‐film detectors. Thanks to their high low‐Z elements content and good charge transport, these materials enable efficient neutron detection. The thin film configuration allowed the operation at low voltage, and offer scalability, flexibility, and
Ilaria Fratelli, Felix Pino, Laura Basiricò, Giulia Napolitano, Jessica Carolina Delgado, Sara Cepić, Andrea Ciavatti, Sandra Moretto, Gianluigi Maggioni, Marco Cinausero, Sara Maria Carturan, Beatrice Fraboni   +11 more
wiley   +1 more source

Review of Molecular Dynamics Simulation of Bimetallic Interfacial Behavior. [PDF]

Materials (Basel)
Wang X, Wang Y, Li G, Jiang W, Wang J, Kang X, Zeng Q, Yao S, Yao P.   +8 more
europepmc   +1 more source

Molecular Dynamics Simulation of Atom-Scale Wear of Thin Film on Metal Surface.

, 1994
Naoya SASAKI, Tomio Iwasaki, Norimasa Chiba, Yasuo Abe   +3 more
openalex   +2 more sources

Ultrafast Energy Transfer Induced Lasing From a Coplanar Donor‐Acceptor‐Donor Molecule in a Microspherical Cavity

Advanced Functional Materials, EarlyView.
This study presents a novel donor‐bridge‐acceptor‐bridge‐donor (D‐B‐A‐B‐D) molecular system, which shows near‐unity intramolecular excitation energy transfer (IET) from two identical energy donors to a coplanar acceptor. It enables a four‐level energy system for efficient lasing at the acceptor emission band in a microspherical cavity with a low lasing
Vishal Kumar, Soh Kushida, Takeru Inoue, Keisuke Iwata, Hiroshi Yamagishi, Hayato Tsuji, Yohei Yamamoto   +6 more
wiley   +1 more source