Results 131 to 140 of about 621,380 (345)

Effects of chain length of surfactants on the interfacial tension: molecular dynamics simulations and experiments [PDF]

, 1990
Berend Smit, A. G. Schlijper, L.A.M. Rupert, N.M. van Os   +3 more
openalex   +1 more source

Unique Performance Considerations for Printable Organic Semiconductor and Perovskite Radiation Detectors: Toward Consensus on Best Practice Evaluation

Advanced Functional Materials, EarlyView.
A lack of standard approaches for testing and reporting the performance of metal halide perovskites and organic semiconductor radiation detectors has resulted in inconsistent interpretation of performance parameters, impeding progress in the field. This Perspective recommends key metrics and experimental details, which are suggested for reporting in ...
Jessie A. Posar, Matthew Large, Andrea Ciavatti, Laura Basiricò, Beatrice Fraboni, Paul J. Sellin, Attila J. Mozer, Marco Petasecca, Matthew J. Griffith   +8 more
wiley   +1 more source

Pump–probe spectroscopy of the hydrated electron: A quantum molecular dynamics simulation [PDF]

, 1994
Benjamin J. Schwartz, Peter J. Rossky
openalex   +1 more source

Photoswitchable Conductive Metal–Organic Frameworks

Advanced Functional Materials, EarlyView.
A conductive material where the conductivity can be modulated remotely by irradiation with light is presented. It is based on films of conductive metal–organic framework type Cu3(HHTP)2 with embedded photochromic molecules such as azobenzene, diarylethene, spiropyran, and hexaarylbiimidazole in the pores.
Yidong Liu, Mersad Mostaghimi, Abhinav Chandresh, Saibal Jana, Wolfgang Wenzel, Lars Heinke   +5 more
wiley   +1 more source

Molecular Dynamics Simulation of Lipid Nanoparticles Encapsulating mRNA

Molecules
mRNA vaccines have shown great potential in responding to emerging infectious diseases, with their efficacy and stability largely dependent on the delivery vehicles—lipid nanoparticles (LNPs).
Zhigang Zhang, Dazhi Cheng, Wenqin Luo, Donling Hu, Tiantian Yang, Kaixuan Hu, Li Liang, Wei Liu, Jianping Hu   +8 more
doaj   +1 more source

Molecular-dynamics simulation of compressible fluid flow in two-dimensional channels [PDF]

, 1992
M. Sun, C. Ebner
openalex   +1 more source

Stable and Dendrite‐Free Zinc Metal Anodes Via Interface Nanoarchitectonics for Aqueous Zinc‐Ion Batteries

Advanced Functional Materials, EarlyView.
This review explores Zn anode challenges in aqueous ZIBs, including dendrites, corrosion, and side reactions, and discusses strategies for improvement through Zn anode, electrolyte, and separator modifications to enhance stability and efficiency. Abstract Aqueous rechargeable zinc‐ion batteries (ZIBs) are emerging as promising candidates for next ...
Pragati A. Shinde, Nilesh R. Chodankar, Lok Kumar Shrestha, Amal Al Ghaferi, Ebrahim Alhajri, Katsuhiko Ariga   +5 more
wiley   +1 more source

Molecular Dynamics Simulation of Imidazole Aqueous Solution at 298.15, 303.15 and 308.15 K

Ibn Al-Haitham Journal for Pure and Applied Sciences, 2017
  M D simulation of Imidazole aqueous solution at 298.15, 303.15 and 308.15 K was carried out by using OPLS force field from this simulation we calculate RDF of N-H… OH2 and N…HOH type of interactions, the results show that the hydration shell ...
Y. I. Mohammed
doaj  

Highly concentrated salt solutions: Molecular dynamics simulations of structure and transport [PDF]

, 1994
Vilia Ann Payne, Maria Forsyth, Mark A. Ratner, Duward F. Shriver, Simon W. de Leeuw   +4 more
openalex   +1 more source

Highly Efficient 3D‐Printed PVDF‐Based Triboelectric Nanogenerators Featuring Polymorphic Perovskite Nanofillers

Advanced Functional Materials, EarlyView.
This study demonstrates the use of a low‐cost 3D printing technique to prepare a large‐area PVDF‐FAPbI3 composite dielectric film for flexible TENG application. The δ→α phase transformation of the FAPbI3 nanofillers has significantly improved the β‐phase content, morphology, and dielectric properties of the PVDF film.
Nurfatin Hafizah Zain Karimy, Hai Li, Hock Beng Lee, Devi Prashad Ojha, Manoj Mayaji Ovhal, Vasanthan Devaraj, Sooman Lim, Jae‐Wook Kang   +7 more
wiley   +1 more source