157 citations · 355 across the 6 of their papers we have counts for
5 papers · 1 filter
Mn-Intercalated MoSe under pressure: electronic structure and vibrational characterization of a dilute magnetic semiconductor
Shunda Chen, Virginia L. Johnson, Davide Donadio +1
Intercalation offers a promising way to alter the physical properties of two-dimensional (2D) layered materials. Here we investigate the electronic and vibrational properties of 2D…
Influence of Boundaries and Thermostatting on Nonequilibrium Molecular Dynamics Simulations of Heat Conduction in Solids
Zhen Li, Shiyun Xiong, Charles Sievers +7
Nonequilibrium molecular dynamics (NEMD) has been extensively used to study thermal transport at various length scales in many materials. In this method, two local thermostats at d…
Strongly Tunable Anisotropic Thermal Transport in MoS2 by Strain and Lithium Intercalation: First--Principles Calculations
Shunda Chen, Aditya Sood, Eric Pop +2
The possibility of tuning the vibrational properties and the thermal conductivity of layered van der Waals materials either chemically or mechanically paves the way to significant…
Quasi-ballistic thermal transport across MoS thin films
Aditya Sood, Feng Xiong, Shunda Chen +7
Layered two-dimensional (2D) materials have highly anisotropic thermal properties between the in-plane and cross-plane directions. In general, it is thought that cross-plane therma…
An electrochemical thermal transistor
Aditya Sood, Feng Xiong, Shunda Chen +9
The ability to actively regulate heat flow at the nanoscale could be a game changer for applications in thermal management and energy harvesting. Such a breakthrough could also ena…