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Updated: Jan 30, 2026

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
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Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

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Semi-Empirical Force-Field Model for the Ti1-xAlxN  (0 ≤ x ≤ 1) System

G A Almyras1, D G Sangiovanni2,3, K Sarakinos4

  • 1Nanoscale Engineering Division, Department of Physics, Chemistry, and Biology, Linköping University, SE 581 83 Linköping, Sweden. george.almyras@gmail.com.

Materials (Basel, Switzerland)
|January 13, 2019
PubMed

Keywords:
MD simulations, molecular dynamicsMEAMTi-Al-Nforce-field modelinteratomic potentialphase stabilityspinodal decompositiontitanium-aluminum nitride

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