Density functional theory and molecular dynamics simulations for resistive switching research
MA Villena, O Kaya, U Schwingenschlögl… - Materials Science and …, 2024 - Elsevier
Resistive switching (RS) devices, often referred to as memristors, have exhibited interesting
electronic performance that could be useful to enhance the capabilities of multiple types of …
electronic performance that could be useful to enhance the capabilities of multiple types of …
Review of titanium trisulfide (TiS3): A novel material for next generation electronic and optical devices
Titanium trisulfide (TiS 3) is a newly emerging material of the transition-metal tri-
chalcogenides (TMTCs) family. It has non-linear optical property and conductivity. In …
chalcogenides (TMTCs) family. It has non-linear optical property and conductivity. In …
Strain engineering of quasi-1D layered TiS3 nanosheets toward giant anisotropic Raman and piezoresistance responses
Quasi-one-dimensional layered TiS 3 nanosheets possess highly anisotropic physical
properties. Herein, we reported the anisotropic strain response of Raman and the …
properties. Herein, we reported the anisotropic strain response of Raman and the …
Transport coefficients of layered
R Biele, R D'Agosta - Physical Review Materials, 2022 - APS
We investigate the electrical and thermal transport coefficients of an emergent transition
metal tri-chalcogenide, namely, TiS 3. We implement an accurate description of the electron …
metal tri-chalcogenide, namely, TiS 3. We implement an accurate description of the electron …
Optimisation of the thermoelectric efficiency of zirconium trisulphide monolayers through unixial and biaxial strain
The goal of this work is to investigate the influence of mechanical deformation on the
electronic and thermoelectric properties of ZrS3 monolayers. We employ density functional …
electronic and thermoelectric properties of ZrS3 monolayers. We employ density functional …
Molybdenum disulfide under extreme conditions: An ab initio study on its melting
F Saiz - Journal of Applied Physics, 2023 - pubs.aip.org
Crystalline molybdenum disulfide has become a central actor in the 2D-materials community
due to its promising optoelectronic and thermoelectric properties. Despite the extensive work …
due to its promising optoelectronic and thermoelectric properties. Despite the extensive work …
Interatomic potential for predicting the thermal conductivity of zirconium trisulfide monolayers with molecular dynamics
We present here a new interatomic potential parameter set to predict the thermal
conductivity of zirconium trisulfide monolayers. The generated Tersoff-type force field is …
conductivity of zirconium trisulfide monolayers. The generated Tersoff-type force field is …