ML potentials & 2D materials · 2018
The influence of surface functionalization on thermal transport and thermoelectric properties of MXene monolayers
Sevil Sarikurt, Deniz Çakır, Murat Keçeli, Cem Sevik
Nanoscale 10, 8859 (2018)
Summary
Computes Seebeck coefficients and lattice thermal conductivities of oxygen-terminated M2CO2 MXene monolayers from first principles to show how transition-metal choice and surface functionalization tune thermoelectric performance.
Keywords
MXenesthermoelectricslattice thermal conductivitySeebeck coefficient2D materialsphonon Boltzmann transportfirst principles
Cite
@article{2018_sarikurt_mxene_thermal_thermoelectric,
title = {The influence of surface functionalization on thermal transport and thermoelectric properties of MXene monolayers},
author = {Sevil Sarikurt and Deniz Çakır and Murat Keçeli and Cem Sevik},
journal = {Nanoscale 10, 8859 (2018)},
year = {2018},
doi = {10.1039/c7nr09144c}
}