160 citations · 759 across the 22 of their papers we have counts for
7 papers · 1 filter
Reduced work function of graphene by metal adatoms
Merid Legesse, Fedwa El Mellouhi, El Tayeb Bentria +4
In this paper, the work function of graphene doped by different metal adatoms and at different concentrations is investigated. Density functional theory is used to maximize the red…
Magnetothermoelectric effects in graphene and their dependence on scatterer concentration, magnetic field and band gap
Arpan Kundu, Majed Alrefae, Timothy S. Fisher
Using a semiclassical Boltzmann transport equation (BTE) approach, we derive analytical expressions for electric and thermoelectric transport coefficients of graphene in the presen…
Büttiker probes for dissipative phonon quantum transport in semiconductor nanostructures
K. Miao, S. Sadasivam, J. Charles +3
Theoretical prediction of phonon transport in modern semiconductor nanodevices requires atomic resolution of device features and quantum transport models covering coherent and inco…
Engineering the electronic bandgaps and band edge positions in carbon-substituted 2D boron nitride: a first-principles investigation
Sharmila N. Shirodkar, Umesh V. Waghmare, Timothy S. Fisher +1
Modification of graphene to open a robust gap in its electronic spectrum is essential for its use in field effect transistors and photochemistry applications. Inspired by recent ex…
Electron-Phonon Coupling and Thermal Conductance at a Metal-Semiconductor Interface: First-principles Analysis
Sridhar Sadasivam, Umesh V. Waghmare, Timothy S. Fisher
The mechanism of heat transfer and the contribution of electron-phonon coupling to thermal conductance of a metal-semiconductor interface remains unclear in the present literature.…
Dopant-vacancy binding effects in Li-doped magnesium hydride
Kyle C. Smith, Timothy S. Fisher, Umesh V. Waghmare +1
We use a combination of ab initio calculations and statistical mechanics to investigate the substitution of Li+ for Mg2+ in magnesium hydride (MgH2) accompanied by the formation of…
Extraordinary sensitivity of the electronic structure and properties of single-walled carbon nanotubes to molecular charge-transfer
Rakesh Voggu, Chandra Sekhar Rout, Aaron D. Franklin +2
Interaction of single-walled carbon nanotubes with electron donor and acceptor molecules causes significant changes in the electronic and Raman spectra, the relative proportion of…