QuantumATK: an integrated platform of electronic and atomic-scale modelling tools S Smidstrup, T Markussen, P Vancraeyveld, J Wellendorff, J Schneider, ... Journal of Physics: Condensed Matter 32 (1), 015901, 2019 | 1543 | 2019 |
First-principles method for electron-phonon coupling and electron mobility: Applications to two-dimensional materials T Gunst, T Markussen, K Stokbro, M Brandbyge Physical Review B 93 (3), 035414, 2016 | 294 | 2016 |
Thermoelectric properties of finite graphene antidot lattices T Gunst, T Markussen, AP Jauho, M Brandbyge Physical Review B—Condensed Matter and Materials Physics 84 (15), 155449, 2011 | 174 | 2011 |
Stacked Janus device concepts: abrupt pn-junctions and cross-plane channels M Palsgaard, T Gunst, T Markussen, KS Thygesen, M Brandbyge Nano letters 18 (11), 7275-7281, 2018 | 91 | 2018 |
Efficient calculation of inelastic vibration signals in electron transport: Beyond the wide-band approximation JT Lü, RB Christensen, G Foti, T Frederiksen, T Gunst, M Brandbyge Physical Review B 89 (8), 081405, 2014 | 71 | 2014 |
Efficient first-principles calculation of phonon-assisted photocurrent in large-scale solar-cell devices M Palsgaard, T Markussen, T Gunst, M Brandbyge, K Stokbro Physical Review Applied 10 (1), 014026, 2018 | 64 | 2018 |
Graphene antidot lattice waveguides JG Pedersen, T Gunst, T Markussen, TG Pedersen Physical Review B—Condensed Matter and Materials Physics 86 (24), 245410, 2012 | 59 | 2012 |
Manipulating the voltage drop in graphene nanojunctions using a gate potential N Papior, T Gunst, D Stradi, M Brandbyge Physical Chemistry Chemical Physics 18 (2), 1025-1031, 2016 | 52 | 2016 |
First-principles electron transport with phonon coupling: Large scale at low cost T Gunst, T Markussen, MLN Palsgaard, K Stokbro, M Brandbyge Physical Review B 96 (16), 161404, 2017 | 48 | 2017 |
Suppression of intrinsic roughness in encapsulated graphene JD Thomsen, T Gunst, SS Gregersen, L Gammelgaard, BS Jessen, ... Physical Review B 96 (1), 014101, 2017 | 48 | 2017 |
Interface band gap narrowing behind open circuit voltage losses in Cu2ZnSnS4 solar cells A Crovetto, MLN Palsgaard, T Gunst, T Markussen, K Stokbro, ... Applied physics letters 110 (8), 2017 | 47 | 2017 |
Electron-phonon scattering from Green's function transport combined with molecular dynamics: Applications to mobility predictions T Markussen, M Palsgaard, D Stradi, T Gunst, M Brandbyge, K Stokbro Physical Review B 95 (24), 245210, 2017 | 45 | 2017 |
Flexural-phonon scattering induced by electrostatic gating in graphene T Gunst, K Kaasbjerg, M Brandbyge Physical Review Letters 118 (4), 046601, 2017 | 37 | 2017 |
A graphene-edge ferroelectric molecular switch JM Caridad, G Calogero, P Pedrinazzi, JE Santos, A Impellizzeri, T Gunst, ... Nano Letters 18 (8), 4675-4683, 2018 | 27 | 2018 |
Electronic and transport properties of kinked graphene JT Rasmussen, T Gunst, P Bøggild, AP Jauho, M Brandbyge Beilstein journal of nanotechnology 4 (1), 103-110, 2013 | 25 | 2013 |
Phonon excitation and instabilities in biased graphene nanoconstrictions T Gunst, JT Lü, P Hedegård, M Brandbyge Physical Review B—Condensed Matter and Materials Physics 88 (16), 161401, 2013 | 24 | 2013 |
First-Principles Evaluation of fcc Ruthenium for its use in Advanced Interconnects TM Philip, NA Lanzillo, T Gunst, T Markussen, J Cobb, S Aboud, ... Physical Review Applied 13 (4), 044045, 2020 | 23 | 2020 |
Current-induced dynamics in carbon atomic contacts JT Lü, T Gunst, P Hedegård, M Brandbyge Beilstein Journal of Nanotechnology 2 (1), 814-823, 2011 | 20 | 2011 |
Inelastic vibrational signals in electron transport across graphene nanoconstrictions T Gunst, T Markussen, K Stokbro, M Brandbyge Physical Review B 93 (24), 245415, 2016 | 14 | 2016 |
Semiconductor band alignment from first principles: A new nonequilibrium Green's function method applied to the CZTSe/CdS interface for photovoltaics MLN Palsgaard, A Crovetto, T Gunst, T Markussen, O Hansen, K Stokbro, ... 2016 International Conference on Simulation of Semiconductor Processes and …, 2016 | 11 | 2016 |