Results 111 to 120 of about 628,558 (285)
Thermal conductivity of strained silicon: molecular dynamics insight and kinetic theory approach
, 2019 In this work, we investigated tensile and compression forces effect on the thermal conductivity of silicon. We used equilibrium molecular dynamics approach for the evaluation of thermal conductivity considering different interatomic potentials.
Chantrenne, Patrice +4 more
core +3 more sources
Advanced Functional Materials, EarlyView.Novel ferrocene derivatives (e.g., FcPhc2) are used as an ultrathin layer hole‐blocking layer, reducing hole injection from the Ag contact. This results in an ultralow noise spectral density of 1.2 × 10−14 A Hz−1/2, and a high specific detectivity of 8.1 × 1012 Jones at −0.5 V.
Eunyoung Hong +16 more
wiley +1 more source
Advanced Functional Materials, EarlyView.This study presents novel anti‐counterfeiting tags with multilevel security features that utilize additional disguise features. They combine luminescent nanosized Ln‐MOFs with conductive polymers to multifunctional mixed‐matrix membranes and powder composites. The materials exhibit visible/NIR emission and matrix‐based conductivity even as black bodies.
Moritz Maxeiner +9 more
wiley +1 more source
Multiscale Molecular Dynamics Simulations with the MiMiC Framework
CHIMIAMultiscale simulations are essential techniques in computational chemistry, providing insights into complex phenomena across extended temporal and spatial scales.
Andrea Levy +3 more
doaj +1 more source
Molecular Dynamics Simulations of Nanochannel Flows at Low Reynolds Numbers
Molecules, 2003 In this paper we use molecular dynamics (MD) simulations to study nanochannel flows at low Reynolds numbers and present some new interesting results. We investigated a simple fluid flowing through channels of different shapes at the nano level. The Weeks-
Allen T. Chwang, Xiao-Bing Mi
doaj +1 more source
Enhancing Low‐Temperature Performance of Sodium‐Ion Batteries via Anion‐Solvent Interactions
Advanced Functional Materials, EarlyView.DOL is introduced into electrolytes as a co‐solvent, increasing slat solubility, ion conductivity, and the de‐solvent process, and forming an anion‐rich solvent shell due to its high interaction with anion. With the above virtues, the batteries using this electrolyte exhibit excellent cycling stability at low temperatures. Abstract Sodium‐ion batteries
Cheng Zheng +7 more
wiley +1 more source
Advanced Functional Materials, EarlyView.This study demonstrates an alternative method of creating charge‐stable negatively charged nitrogen vacancy (NV−) centers close to the diamond surface without high‐temperature annealing. By illuminating nitrogen‐implanted regions with a continuous‐wave 405 nm laser, NV− centers are induced, exhibiting electron spin coherence properties suitable for ...
Jens Fuhrmann +4 more
wiley +1 more source
Advanced Functional Materials, EarlyView.HKUST‐1/TiO2 composite materials show a very high photocatalytic hydrogen evolution rate which increases as a function of the irradiation time until reaching a plateau and even surpasses the performance of the 1%Pt/TiO2 material after three photocatalytic cycles.
Alisha Khan +9 more
wiley +1 more source
Nitrogenation of Amorphous Silicon : Reactive Molecular Dynamics Simulations [PDF]
Journal of Pure and Applied Chemistry Research, 2019 Since silicon nitride (SiNx) film is more stable than SiO2, silicon nitride, thus it is widely used in semiconductor industry as an insulatorlayer. The study of nitrogenation process of a-Si was performed using molecular dynamics simulations to determine
Mauludi Ariesto Pamungkas +3 more
doaj
Molecular Dynamics Simulations of Slip on Curved Surfaces
Oil & Gas Science and Technology, 2016 We present Molecular Dynamics (MD) simulations of liquid water confined within nanoscale geometries, including slit-like and cylindrical graphitic pores.
Ross D.A., Boek E.S.
doaj +1 more source