| Year |
Citation |
Score |
| 2023 |
Lorentzen AB, Bouatou M, Chacon C, Dappe YJ, Lagoute J, Brandbyge M. Quantum Transport in Large-Scale Patterned Nitrogen-Doped Graphene. Nanomaterials (Basel, Switzerland). 13. PMID 37764585 DOI: 10.3390/nano13182556 |
0.336 |
|
| 2023 |
Sanz Wuhl S, Papior NR, Giedke G, Sánchez-Portal D, Brandbyge M, Frederiksen T. Mach-Zehnder-like interferometry with graphene nanoribbon networks. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 37220757 DOI: 10.1088/1361-648X/acd832 |
0.6 |
|
| 2023 |
Wu X, Néel N, Brandbyge M, Kröger J. Enhancement of Graphene Phonon Excitation by a Chemically Engineered Molecular Resonance. Physical Review Letters. 130: 116201. PMID 37001107 DOI: 10.1103/PhysRevLett.130.116201 |
0.328 |
|
| 2023 |
Moreno C, Diaz de Cerio X, Vilas-Varela M, Tenorio M, Sarasola A, Brandbyge M, Peña D, Garcia-Lekue A, Mugarza A. Molecular Bridge Engineering for Tuning Quantum Electronic Transport and Anisotropy in Nanoporous Graphene. Journal of the American Chemical Society. PMID 36988648 DOI: 10.1021/jacs.3c00173 |
0.33 |
|
| 2022 |
Li D, Tong Y, Bairagi K, Kelai M, Dappe YJ, Lagoute J, Girard Y, Rousset S, Repain V, Barreteau C, Brandbyge M, Smogunov A, Bellec A. Negative Differential Resistance in Spin-Crossover Molecular Devices. The Journal of Physical Chemistry Letters. 13: 7514-7520. PMID 35944010 DOI: 10.1021/acs.jpclett.2c01934 |
0.301 |
|
| 2022 |
Sanz S, Papior N, Giedke G, Sánchez-Portal D, Brandbyge M, Frederiksen T. Spin-Polarizing Electron Beam Splitter from Crossed Graphene Nanoribbons. Physical Review Letters. 129: 037701. PMID 35905343 DOI: 10.1103/PhysRevLett.129.037701 |
0.566 |
|
| 2022 |
Alcón I, Calogero G, Papior N, Antidormi A, Song K, Cummings AW, Brandbyge M, Roche S. Unveiling the Multiradical Character of the Biphenylene Network and Its Anisotropic Charge Transport. Journal of the American Chemical Society. PMID 35476458 DOI: 10.1021/jacs.2c02178 |
0.317 |
|
| 2021 |
Alcón I, Papior N, Calogero G, Viñes F, Gamallo P, Brandbyge M. Acetylene-Mediated Electron Transport in Nanostructured Graphene and Hexagonal Boron Nitride. The Journal of Physical Chemistry Letters. 12: 11220-11227. PMID 34761926 DOI: 10.1021/acs.jpclett.1c03166 |
0.338 |
|
| 2020 |
García A, Papior N, Akhtar A, Artacho E, Blum V, Bosoni E, Brandimarte P, Brandbyge M, Cerdá JI, Corsetti F, Cuadrado R, Dikan V, Ferrer J, Gale J, García-Fernández P, et al. Siesta: Recent developments and applications. The Journal of Chemical Physics. 152: 204108. PMID 32486661 DOI: 10.1063/5.0005077 |
0.383 |
|
| 2019 |
Luo B, Koleini M, Whelan PR, Shivayogimath A, Brandbyge M, Bøggild P, Booth TJ. Graphene Subgrain-Defined Oxidation of Copper. Acs Applied Materials & Interfaces. PMID 31797664 DOI: 10.1021/Acsami.9B15931 |
0.305 |
|
| 2019 |
Brand J, Leitherer S, Papior NR, Néel N, Lei Y, Brandbyge M, Kröger J. Nonequilibrium Bond Forces in Single-Molecule Junctions. Nano Letters. PMID 31556298 DOI: 10.1021/Acs.Nanolett.9B02845 |
0.334 |
|
| 2019 |
Smidstrup S, Markussen T, Vancraeyveld P, Wellendorff J, Schneider J, Gunst T, Verstichel B, Stradi D, Khomyakov PA, Vej-Hansen UG, Lee ME, Chill ST, Rasmussen F, Penazzi G, Corsetti F, ... ... Brandbyge M, et al. QuantumATK: An integrated platform of electronic and atomic-scale modelling tools. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 31470430 DOI: 10.1088/1361-648X/Ab4007 |
0.685 |
|
| 2019 |
Calogero G, Alcón I, Papior N, Jauho AP, Brandbyge M. Quantum Interference Engineering of Nanoporous Graphene for Carbon Nanocircuitry. Journal of the American Chemical Society. PMID 31342738 DOI: 10.1021/Jacs.9B04649 |
0.608 |
|
| 2019 |
Sevinçli H, Roche S, Cuniberti G, Brandbyge M, Gutierrez R, Medrano Sandonas L. Green function, quasi-classical Langevin and Kubo-Greenwood methods in quantum thermal transport. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 31: 273003. PMID 31026228 DOI: 10.1088/1361-648X/Ab119A |
0.373 |
|
| 2019 |
Calogero G, Papior N, Koleini M, Larsen MHL, Brandbyge M. Multi-scale approach to first-principles electron transport beyond 100 nm. Nanoscale. 11: 6153-6164. PMID 30874281 DOI: 10.1039/C9Nr00866G |
0.426 |
|
| 2019 |
Papior N, Calogero G, Leitherer S, Brandbyge M. Removing all periodic boundary conditions: Efficient nonequilibrium Green's function calculations Physical Review B. 100. DOI: 10.1103/Physrevb.100.195417 |
0.44 |
|
| 2019 |
Leitherer S, Papior N, Brandbyge M. Current-induced atomic forces in gated graphene nanoconstrictions Physical Review B. 100. DOI: 10.1103/Physrevb.100.035415 |
0.394 |
|
| 2019 |
Lü J, Hu B, Hedegård P, Brandbyge M. Semi-classical generalized Langevin equation for equilibrium and nonequilibrium molecular dynamics simulation Progress in Surface Science. 94: 21-40. DOI: 10.1016/J.Progsurf.2018.07.002 |
0.319 |
|
| 2018 |
Calogero G, Papior NR, Kretz B, Garcia-Lekue A, Frederiksen T, Brandbyge M. Electron transport in nanoporous graphene: Probing the Talbot effect. Nano Letters. PMID 30539639 DOI: 10.1021/Acs.Nanolett.8B04616 |
0.661 |
|
| 2018 |
Palsgaard M, Gunst T, Markussen T, Thygesen KS, Brandbyge M. Stacked Janus Device Concepts: Abrupt pn-Junctions and Cross-Plane Channels. Nano Letters. PMID 30339398 DOI: 10.1021/Acs.Nanolett.8B03474 |
0.662 |
|
| 2018 |
Calogero G, Papior NR, Boggild P, Brandbyge M. Large-scale tight-binding simulations of quantum transport in ballistic graphene. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 30061475 DOI: 10.1088/1361-648X/Aad6F1 |
0.417 |
|
| 2018 |
Halle J, Néel N, Fonin M, Brandbyge M, Kröger J. Understanding and Engineering Phonon-Mediated Tunneling into Graphene on Metal Surfaces. Nano Letters. PMID 30044641 DOI: 10.1021/Acs.Nanolett.8B02295 |
0.426 |
|
| 2018 |
Caridad JM, Calogero G, Pedrinazzi P, Santos JE, Impellizzeri A, Gunst T, Booth TJ, Sordan R, Bøggild P, Brandbyge M. A Graphene-Edge Ferroelectric Molecular Switch. Nano Letters. 18: 4675-4683. PMID 30029573 DOI: 10.1021/Acs.Nanolett.8B00797 |
0.378 |
|
| 2018 |
Papior NR, Calogero G, Brandbyge M. Simple and efficient LCAO basis sets for the diffuse states in carbon nanostructures. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 29762126 DOI: 10.1088/1361-648X/Aac4Dd |
0.353 |
|
| 2018 |
Özbal G, Falkenberg JT, Brandbyge M, Senger RT, Sevinçli H. Directed growth of hydrogen lines on graphene: High-throughput simulations powered by evolutionary algorithm Physical Review Materials. 2. DOI: 10.1103/Physrevmaterials.2.073406 |
0.361 |
|
| 2018 |
Kretz B, Pedersen CS, Stradi D, Brandbyge M, Garcia-Lekue A. Atomistic Insight into the Formation of Metal-Graphene One-Dimensional Contacts Physical Review Applied. 10: 24016. DOI: 10.1103/Physrevapplied.10.024016 |
0.34 |
|
| 2018 |
Palsgaard M, Markussen T, Gunst T, Brandbyge M, Stokbro K. Efficient First-Principles Calculation of Phonon-Assisted Photocurrent in Large-Scale Solar-Cell Devices Physical Review Applied. 10. DOI: 10.1103/Physrevapplied.10.014026 |
0.601 |
|
| 2017 |
Zhang Y, Wang Y, Lü JT, Brandbyge M, Berndt R. Mechanochemistry induced with a robust functionalized tip. Angewandte Chemie (International Ed. in English). PMID 28727903 DOI: 10.1002/Ange.201704940 |
0.34 |
|
| 2017 |
Bøggild P, Caridad JM, Stampfer C, Calogero G, Papior NR, Brandbyge M. A two-dimensional Dirac fermion microscope. Nature Communications. 8: 15783. PMID 28598421 DOI: 10.1038/Ncomms15783 |
0.393 |
|
| 2017 |
Stradi D, Papior N, Hansen O, Brandbyge M. Field effect in graphene-based van der Waals heterostructures: Stacking sequence matters. Nano Letters. PMID 28263606 DOI: 10.1021/Acs.Nanolett.7B00473 |
0.42 |
|
| 2017 |
Gunst T, Kaasbjerg K, Brandbyge M. Flexural-Phonon Scattering Induced by Electrostatic Gating in Graphene. Physical Review Letters. 118: 046601. PMID 28186808 DOI: 10.1103/Physrevlett.118.046601 |
0.798 |
|
| 2017 |
Gunst T, Markussen T, Palsgaard MLN, Stokbro K, Brandbyge M. First-principles electron transport with phonon coupling: Large scale at low cost Physical Review B. 96. DOI: 10.1103/Physrevb.96.161404 |
0.675 |
|
| 2017 |
Schendel V, Barreteau C, Brandbyge M, Borca B, Pentegov I, Schlickum U, Ternes M, Wahl P, Kern K. Strong paramagnon scattering in single atom Pd contacts Physical Review B. 96. DOI: 10.1103/Physrevb.96.035155 |
0.308 |
|
| 2017 |
Markussen T, Palsgaard M, Stradi D, Gunst T, Brandbyge M, Stokbro K. Electron-phonon scattering from Green's function transport combined with molecular dynamics: Applications to mobility predictions Physical Review B. 95. DOI: 10.1103/Physrevb.95.245210 |
0.653 |
|
| 2017 |
Barrios Vargas JE, Falkenberg JT, Soriano D, Cummings AW, Brandbyge M, Roche S. Grain boundary-induced variability of charge transport in hydrogenated polycrystalline graphene 2d Materials. 4: 025009. DOI: 10.1088/2053-1583/Aa59De |
0.375 |
|
| 2017 |
Crovetto A, Palsgaard MLN, Gunst T, Markussen T, Stokbro K, Brandbyge M, Hansen O. Interface band gap narrowing behind open circuit voltage losses in Cu2ZnSnS4 solar cells Applied Physics Letters. 110: 083903. DOI: 10.1063/1.4976830 |
0.6 |
|
| 2017 |
Papior NR, Lorente N, Frederiksen T, García A, Brandbyge M. Improvements on non-equilibrium and transport Green function techniques: The next-generation TRANSIESTA Computer Physics Communications. 212: 8-24. DOI: 10.1016/J.Cpc.2016.09.022 |
0.607 |
|
| 2016 |
Settnes M, Power SR, Brandbyge M, Jauho AP. Graphene Nanobubbles as Valley Filters and Beam Splitters. Physical Review Letters. 117: 276801. PMID 28084750 DOI: 10.1103/Physrevlett.117.276801 |
0.557 |
|
| 2016 |
Zhang X, Stradi D, Liu L, Luo H, Brandbyge M, Gu G. Tunneling spectra of graphene on copper unraveled. Physical Chemistry Chemical Physics : Pccp. PMID 27297050 DOI: 10.1039/C6Cp01572G |
0.38 |
|
| 2016 |
Christensen RB, Lü JT, Hedegård P, Brandbyge M. Current-induced runaway vibrations in dehydrogenated graphene nanoribbons. Beilstein Journal of Nanotechnology. 7: 68-74. PMID 26925354 DOI: 10.3762/Bjnano.7.8 |
0.66 |
|
| 2016 |
Gunst T, Markussen T, Stokbro K, Brandbyge M. Inelastic vibrational signals in electron transport across graphene nanoconstrictions Physical Review B. 93. DOI: 10.1103/Physrevb.93.245415 |
0.674 |
|
| 2016 |
Lü JT, Wang JS, Hedegård P, Brandbyge M. Electron and phonon drag in thermoelectric transport through coherent molecular conductors Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/Physrevb.93.205404 |
0.595 |
|
| 2016 |
Stradi D, Martinez U, Blom A, Brandbyge M, Stokbro K. General atomistic approach for modeling metal-semiconductor interfaces using density functional theory and nonequilibrium Green's function Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/Physrevb.93.155302 |
0.355 |
|
| 2016 |
Gunst T, Markussen T, Stokbro K, Brandbyge M. First-principles method for electron-phonon coupling and electron mobility: Applications to two-dimensional materials Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/Physrevb.93.035414 |
0.698 |
|
| 2016 |
Jacobsen KW, Falkenberg JT, Papior N, Bøggild P, Jauho AP, Brandbyge M. All-graphene edge contacts: Electrical resistance of graphene T-junctions Carbon. 101: 101-106. DOI: 10.1016/J.Carbon.2016.01.084 |
0.603 |
|
| 2015 |
Papior N, Gunst T, Stradi D, Brandbyge M. Manipulating the voltage drop in graphene nanojunctions using a gate potential. Physical Chemistry Chemical Physics : Pccp. 18: 1025-31. PMID 26661116 DOI: 10.1039/C5Cp04613K |
0.414 |
|
| 2015 |
Falkenberg JT, Brandbyge M. Simple and efficient way of speeding up transmission calculations with k-point sampling. Beilstein Journal of Nanotechnology. 6: 1603-8. PMID 26425412 DOI: 10.3762/Bjnano.6.164 |
0.394 |
|
| 2015 |
Lü JT, Christensen RB, Wang JS, Hedegård P, Brandbyge M. Current-induced forces and hot spots in biased nanojunctions. Physical Review Letters. 114: 096801. PMID 25793838 DOI: 10.1103/Physrevlett.114.096801 |
0.7 |
|
| 2015 |
Burtzlaff A, Weismann A, Brandbyge M, Berndt R. Shot noise as a probe of spin-polarized transport through single atoms. Physical Review Letters. 114: 016602. PMID 25615489 DOI: 10.1103/Physrevlett.114.016602 |
0.352 |
|
| 2015 |
Schneider NL, Néel N, Andersen NP, Lü JT, Brandbyge M, Kröger J, Berndt R. Spectroscopy of transmission resonances through a C₆₀ junction. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 27: 015001. PMID 25407046 DOI: 10.1088/0953-8984/27/1/015001 |
0.41 |
|
| 2015 |
Lagoute J, Joucken F, Repain V, Tison Y, Chacon C, Bellec A, Girard Y, Sporken R, Conrad EH, Ducastelle F, Palsgaard M, Andersen NP, Brandbyge M, Rousset S. Giant tunnel-electron injection in nitrogen-doped graphene Physical Review B - Condensed Matter and Materials Physics. 91. DOI: 10.1103/Physrevb.91.125442 |
0.427 |
|
| 2015 |
Palsgaard MLN, Andersen NP, Brandbyge M. Unravelling the role of inelastic tunneling into pristine and defected graphene Physical Review B - Condensed Matter and Materials Physics. 91. DOI: 10.1103/Physrevb.91.121403 |
0.401 |
|
| 2015 |
Christensen RB, Frederiksen T, Brandbyge M. Identification of pristine and defective graphene nanoribbons by phonon signatures in the electron transport characteristics Physical Review B - Condensed Matter and Materials Physics. 91. DOI: 10.1103/Physrevb.91.075434 |
0.663 |
|
| 2014 |
Brandbyge M. Comment on "Rethinking first-principles electron transport theories with projection operators: the problems caused by partitioning the basis set" [J. Chem. Phys. 139, 114104 (2013)]. The Journal of Chemical Physics. 140: 177103. PMID 24811671 DOI: 10.1063/1.4873696 |
0.371 |
|
| 2014 |
Lü JT, Christensen RB, Foti G, Frederiksen T, Gunst T, Brandbyge M. Efficient calculation of inelastic vibration signals in electron transport: Beyond the wide-band approximation Physical Review B - Condensed Matter and Materials Physics. 89. DOI: 10.1103/Physrevb.89.081405 |
0.58 |
|
| 2014 |
Todorov TN, Dundas D, Lü JT, Brandbyge M, Hedegård P. Current-induced forces: A simple derivation European Journal of Physics. 35. DOI: 10.1088/0143-0807/35/6/065004 |
0.613 |
|
| 2014 |
Sevinçli H, Brandbyge M. Phonon scattering in graphene over substrate steps Applied Physics Letters. 105. DOI: 10.1063/1.4898066 |
0.401 |
|
| 2013 |
Rasmussen JT, Gunst T, Bøggild P, Jauho AP, Brandbyge M. Electronic and transport properties of kinked graphene. Beilstein Journal of Nanotechnology. 4: 103-10. PMID 23503656 DOI: 10.3762/Bjnano.4.12 |
0.648 |
|
| 2013 |
Gunst T, Lü JT, Hedegård P, Brandbyge M. Phonon excitation and instabilities in biased graphene nanoconstrictions Physical Review B - Condensed Matter and Materials Physics. 88. DOI: 10.1103/Physrevb.88.161401 |
0.686 |
|
| 2013 |
Lü JT, Christensen RB, Brandbyge M. Light emission and finite-frequency shot noise in molecular junctions: From tunneling to contact Physical Review B - Condensed Matter and Materials Physics. 88. DOI: 10.1103/Physrevb.88.045413 |
0.316 |
|
| 2012 |
Koleini M, Brandbyge M. Strong spin-filtering and spin-valve effects in a molecular V-C(60)-V contact. Beilstein Journal of Nanotechnology. 3: 589-96. PMID 23019556 DOI: 10.3762/Bjnano.3.69 |
0.32 |
|
| 2012 |
Wang YF, Néel N, Kröger J, Vázquez H, Brandbyge M, Wang B, Berndt R. Voltage-dependent conductance states of a single-molecule junction. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 24: 394012. PMID 22964461 DOI: 10.1088/0953-8984/24/39/394012 |
0.329 |
|
| 2012 |
Gunst T, Lu JT, Markussen T, Jauho AP, Brandbyge M. Thermoelectric properties of disordered graphene antidot devices 2012 15th International Workshop On Computational Electronics, Iwce 2012. DOI: 10.1109/IWCE.2012.6242835 |
0.681 |
|
| 2012 |
Ulstrup S, Frederiksen T, Brandbyge M. Nonequilibrium electron-vibration coupling and conductance fluctuations in a C60 junction Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/Physrevb.86.245417 |
0.631 |
|
| 2012 |
Lü JT, Brandbyge M, Hedegård P, Todorov TN, Dundas D. Current-induced atomic dynamics, instabilities, and Raman signals: Quasiclassical Langevin equation approach Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/Physrevb.85.245444 |
0.639 |
|
| 2011 |
Lü JT, Gunst T, Hedegård P, Brandbyge M. Current-induced dynamics in carbon atomic contacts. Beilstein Journal of Nanotechnology. 2: 814-23. PMID 22259765 DOI: 10.3762/Bjnano.2.90 |
0.662 |
|
| 2011 |
Lü JT, Hedegård P, Brandbyge M. Laserlike vibrational instability in rectifying molecular conductors. Physical Review Letters. 107: 046801. PMID 21867028 DOI: 10.1103/Physrevlett.107.046801 |
0.641 |
|
| 2011 |
Gunst T, Markussen T, Jauho AP, Brandbyge M. Thermoelectric properties of finite graphene antidot lattices Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/Physrevb.84.155449 |
0.761 |
|
| 2010 |
Paulsson M, Frederiksen T, Brandbyge M. Molecular electronics: insight from first-principles transport simulations. Chimia. 64: 350-5. PMID 21137708 DOI: 10.2533/Chimia.2010.350 |
0.643 |
|
| 2010 |
Wang YF, Kröger J, Berndt R, Vázquez H, Brandbyge M, Paulsson M. Atomic-scale control of electron transport through single molecules. Physical Review Letters. 104: 176802. PMID 20482125 DOI: 10.1103/Physrevlett.104.176802 |
0.389 |
|
| 2010 |
Lü JT, Brandbyge M, Hedegård P. Blowing the fuse: Berry's phase and runaway vibrations in molecular conductors. Nano Letters. 10: 1657-63. PMID 20380442 DOI: 10.1021/Nl904233U |
0.65 |
|
| 2010 |
Engelund M, Fürst JA, Jauho AP, Brandbyge M. Localized edge vibrations and edge reconstruction by joule heating in graphene nanostructures. Physical Review Letters. 104: 036807. PMID 20366673 DOI: 10.1103/Physrevlett.104.036807 |
0.809 |
|
| 2010 |
Fürst JA, Brandbyge M, Jauho AP. Atomic carbon chains as spin-transmitters: An ab initio transport study Epl. 91. DOI: 10.1209/0295-5075/91/37002 |
0.799 |
|
| 2010 |
Engelund M, Fürst JA, Jauho AP, Brandbyge M. Localized Edge Vibrations and Edge Reconstruction by Joule Heating in Graphene Nanostructures Physical Review Letters. 104. DOI: 10.1103/PhysRevLett.104.036807 |
0.781 |
|
| 2010 |
Markussen T, Rurali R, Cartoixà X, Jauho AP, Brandbyge M. Scattering cross section of metal catalyst atoms in silicon nanowires Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/Physrevb.81.125307 |
0.721 |
|
| 2010 |
Jauho P, Engelund M, Markussen T, Brandbyge M. Ab initio vibrations in nonequilibrium nanowires Journal of Physics: Conference Series. 220. DOI: 10.1088/1742-6596/220/1/012010 |
0.678 |
|
| 2009 |
Schull G, Frederiksen T, Brandbyge M, Berndt R. Passing current through touching molecules. Physical Review Letters. 103: 206803. PMID 20365999 DOI: 10.1103/Physrevlett.103.206803 |
0.591 |
|
| 2009 |
Kallesøe C, Fürst JA, Mølhave K, Bøggild P, Brandbyge M. Semiconducting III-V nanowires with nanogaps for molecular junctions: DFT transport simulations. Nanotechnology. 20: 465401. PMID 19843997 DOI: 10.1088/0957-4484/20/46/465401 |
0.799 |
|
| 2009 |
Markussen T, Jauho AP, Brandbyge M. Surface-decorated silicon nanowires: a route to high-ZT thermoelectrics. Physical Review Letters. 103: 055502. PMID 19792512 DOI: 10.1103/Physrevlett.103.055502 |
0.717 |
|
| 2009 |
Frederiksen T, Munuera C, Ocal C, Brandbyge M, Paulsson M, Sanchez-Portal D, Arnau A. Exploring the tilt-angle dependence of electron tunneling across molecular junctions of self-assembled alkanethiols. Acs Nano. 3: 2073-80. PMID 19637887 DOI: 10.1021/Nn9000808 |
0.615 |
|
| 2009 |
Brandbyge M. Computational nanoscience: atomic waterwheels go to work. Nature Nanotechnology. 4: 81-2. PMID 19197303 DOI: 10.1038/Nnano.2008.413 |
0.333 |
|
| 2009 |
Paulsson M, Krag C, Frederiksen T, Brandbyge M. Conductance of alkanedithiol single-molecule junctions: a molecular dynamics study. Nano Letters. 9: 117-21. PMID 19061346 DOI: 10.1021/Nl802643H |
0.622 |
|
| 2009 |
Markussen T, Jauho AP, Brandbyge M. Surface-decorated silicon nanowires: A route to high-ZT thermoelectrics Physical Review Letters. 103. DOI: 10.1103/PhysRevLett.103.055502 |
0.646 |
|
| 2009 |
Fürst JA, Pedersen TG, Brandbyge M, Jauho AP. Density functional study of graphene antidot lattices: Roles of geometrical relaxation and spin Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/Physrevb.80.115117 |
0.79 |
|
| 2009 |
Engelund M, Brandbyge M, Jauho AP. Atomistic theory for the damping of vibrational modes in monoatomic gold chains Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/Physrevb.80.045427 |
0.517 |
|
| 2009 |
Fürst JA, Hashemi J, Markussen T, Brandbyge M, Jauho AP, Nieminen RM. Electronic transport properties of fullerene functionalized carbon nanotubes: Ab initio and tight-binding calculations Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/Physrevb.80.035427 |
0.762 |
|
| 2009 |
Markussen T, Jauho AP, Brandbyge M. Electron and phonon transport in silicon nanowires: Atomistic approach to thermoelectric properties Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/Physrevb.79.035415 |
0.725 |
|
| 2009 |
Fürst JA, Pedersen JG, Flindt C, Mortensen NA, Brandbyge M, Pedersen TG, Jauho AP. Electronic properties of graphene antidot lattices New Journal of Physics. 11. DOI: 10.1088/1367-2630/11/9/095020 |
0.804 |
|
| 2009 |
Vázquez H, Jelínek P, Brandbyge M, Jauho AP, Flores F. Corrections to the density-functional theory electronic spectrum: Copper phthalocyanine Applied Physics a: Materials Science and Processing. 95: 257-263. DOI: 10.1007/S00339-008-5022-0 |
0.592 |
|
| 2009 |
Rurali R, Markussen T, Suñé J, Brandbyge M, Jauho AP. Scattering of charged impurities in Si nanowires 2009 9th Ieee Conference On Nanotechnology, Ieee Nano 2009. 547-550. |
0.658 |
|
| 2008 |
Markussen T, Jauho AP, Brandbyge M. Heat conductance is strongly anisotropic for pristine silicon nanowires. Nano Letters. 8: 3771-5. PMID 18811212 DOI: 10.1021/Nl8020889 |
0.722 |
|
| 2008 |
Rurali R, Markussen T, Suñé J, Brandbyge M, Jauho AP. Modeling transport in ultrathin Si nanowires: charged versus neutral impurities. Nano Letters. 8: 2825-8. PMID 18672945 DOI: 10.1021/Nl801409M |
0.726 |
|
| 2008 |
Paulsson M, Frederiksen T, Ueba H, Lorente N, Brandbyge M. Unified description of inelastic propensity rules for electron transport through nanoscale junctions. Physical Review Letters. 100: 226604. PMID 18643440 DOI: 10.1103/Physrevlett.100.226604 |
0.641 |
|
| 2008 |
Fürst JA, Brandbyge M, Jauho AP, Stokbro K. Ab initio study of spin-dependent transport in carbon nanotubes with iron and vanadium adatoms Physical Review B - Condensed Matter and Materials Physics. 78. DOI: 10.1103/Physrevb.78.195405 |
0.795 |
|
| 2008 |
Tao K, Stepanyuk VS, Bruno P, Bazhanov DI, Maslyuk VV, Brandbyge M, Mertig I. Manipulating magnetism and conductance of an adatom-molecule junction on a metal surface: An ab initio study Physical Review B - Condensed Matter and Materials Physics. 78. DOI: 10.1103/Physrevb.78.014426 |
0.348 |
|
| 2008 |
Richter J, Pedersen J, Brandbyge M, Thomsen EV, Hansen O. Piezoresistance in p-type silicon revisited Journal of Applied Physics. 104. DOI: 10.1063/1.2960335 |
0.334 |
|
| 2008 |
Markussen T, Rurali R, Jauho AP, Brandbyge M. Transport in silicon nanowires: Role of radial dopant profile Journal of Computational Electronics. 7: 324-327. DOI: 10.1007/S10825-007-0156-4 |
0.747 |
|
| 2007 |
Markussen T, Rurali R, Jauho AP, Brandbyge M. Scaling theory put into practice: first-principles modeling of transport in doped silicon nanowires. Physical Review Letters. 99: 076803. PMID 17930915 DOI: 10.1103/Physrevlett.99.076803 |
0.724 |
|
| 2007 |
Koleini M, Paulsson M, Brandbyge M. Efficient organometallic spin filter between single-wall carbon nanotube or graphene electrodes. Physical Review Letters. 98: 197202. PMID 17677656 DOI: 10.1103/Physrevlett.98.197202 |
0.36 |
|
| 2007 |
Néel N, Kröger J, Limot L, Frederiksen T, Brandbyge M, Berndt R. Controlled contact to a C60 molecule. Physical Review Letters. 98: 065502. PMID 17358955 DOI: 10.1103/Physrevlett.98.065502 |
0.601 |
|
| 2007 |
Markussen T, Rurali R, Jauho AP, Brandbyge M. Scaling theory put into practice: First-principles modeling of transport in doped silicon nanowires Physical Review Letters. 99. DOI: 10.1103/PhysRevLett.99.076803 |
0.683 |
|
| 2007 |
Paulsson M, Brandbyge M. Transmission eigenchannels from nonequilibrium Green's functions Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/Physrevb.76.115117 |
0.341 |
|
| 2007 |
Frederiksen T, Lorente N, Paulsson M, Brandbyge M. From tunneling to contact: Inelastic signals in an atomic gold junction from first principles Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/Physrevb.75.235441 |
0.655 |
|
| 2007 |
Frederiksen T, Paulsson M, Brandbyge M, Jauho AP. Inelastic transport theory from first principles: Methodology and application to nanoscale devices Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/Physrevb.75.205413 |
0.687 |
|
| 2007 |
Paulsson M, Frederiksen T, Brandbyge M. Erratum: Modeling inelastic phonon scattering in atomic- and molecular-wire junctions [Phys. Rev. B72, 201101(R) (2005)] Physical Review B. 75. DOI: 10.1103/Physrevb.75.129901 |
0.585 |
|
| 2007 |
Frederiksen T, Paulsson M, Brandbyge M. Inelastic fingerprints of hydrogen contamination in atomic gold wire systems Journal of Physics: Conference Series. 61: 312-316. DOI: 10.1088/1742-6596/61/1/063 |
0.601 |
|
| 2007 |
Sørensen MH, Mortensen NA, Brandbyge M. Screening model for nanowire surface-charge sensors in liquid Applied Physics Letters. 91. DOI: 10.1063/1.2779930 |
0.311 |
|
| 2007 |
Frederiksen T, Paulsson M, Brandbyge M, Jauho AP. First-principles theory of inelastic transport and local heating in atomic gold wires Aip Conference Proceedings. 893: 727-728. DOI: 10.1063/1.2730096 |
0.674 |
|
| 2006 |
Maslyuk VV, Bagrets A, Meded V, Arnold A, Evers F, Brandbyge M, Bredow T, Mertig I. Organometallic benzene-vanadium wire: A one-dimensional half-metallic ferromagnet. Physical Review Letters. 97: 097201. PMID 17026394 DOI: 10.1103/Physrevlett.97.097201 |
0.385 |
|
| 2006 |
Paulsson M, Frederiksen T, Brandbyge M. Inelastic transport through molecules: comparing first-principles calculations to experiments. Nano Letters. 6: 258-62. PMID 16464046 DOI: 10.1021/Nl052224R |
0.632 |
|
| 2006 |
Markussen T, Rurali R, Brandbyge M, Jauho AP. Electronic transport through Si nanowires: Role of bulk and surface disorder Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/Physrevb.74.245313 |
0.73 |
|
| 2006 |
Paulsson M, Frederiksen T, Brandbyge M. Phonon scattering in nanoscale systems: Lowest order expansion of the current and power expressions Journal of Physics: Conference Series. 35: 247-254. DOI: 10.1088/1742-6596/35/1/022 |
0.502 |
|
| 2006 |
Stokbro K, Taylor J, Brandbyge M, Guo H. Ab-initio Non-Equilibrium Green's Function formalism for calculating electron transport in molecular devices Lecture Notes in Physics. 680: 117-151. DOI: 10.1007/3-540-31514-4_5 |
0.462 |
|
| 2005 |
Paulsson M, Frederiksen T, Brandbyge M. Modeling inelastic phonon scattering in atomic- and molecular-wire junctions Physical Review B - Condensed Matter and Materials Physics. 72. DOI: 10.1103/Physrevb.72.201101 |
0.645 |
|
| 2004 |
Frederiksen T, Brandbyge M, Lorente N, Jauho AP. Inelastic scattering and local heating in atomic gold wires. Physical Review Letters. 93: 256601. PMID 15697922 DOI: 10.1103/Physrevlett.93.256601 |
0.72 |
|
| 2004 |
Lee YJ, Brandbyge M, Puska MJ, Taylor J, Stokbro K, Nieminen RM. Electron transport through monovalent atomic wires Physical Review B - Condensed Matter and Materials Physics. 69: 1254091-1254095. DOI: 10.1103/Physrevb.69.125409 |
0.373 |
|
| 2004 |
Hansen K, Brandbyge M. Current-voltage relation for thin tunnel barriers: Parabolic barrier model Journal of Applied Physics. 95: 3582-3586. DOI: 10.1063/1.1650896 |
0.315 |
|
| 2004 |
Frederiksen T, Brandbyge M, Lorente N, Jauho AP. Modeling of inelastic transport in one-dimensional metallic atomic wires 2004 10th International Workshop On Computational Electronics, Ieee Iwce-10 2004, Abstracts. 225-226. DOI: 10.1007/s10825-004-7089-y |
0.666 |
|
| 2003 |
Stokbro K, Taylor J, Brandbyge M, Ordejón P. TranSIESTA: a spice for molecular electronics. Annals of the New York Academy of Sciences. 1006: 212-26. PMID 14976020 DOI: 10.1196/Annals.1292.014 |
0.43 |
|
| 2003 |
Stokbro K, Taylor J, Brandbyge M. Do Aviram-Ratner diodes rectify? Journal of the American Chemical Society. 125: 3674-5. PMID 12656578 DOI: 10.1021/Ja028229X |
0.385 |
|
| 2003 |
Taylor J, Brandbyge M, Stokbro K. Conductance switching in a molecular device: The role of side groups and intermolecular interactions Physical Review B - Condensed Matter and Materials Physics. 68: 1211011-1211014. DOI: 10.1103/Physrevb.68.121101 |
0.374 |
|
| 2003 |
Nielsen SK, Noat Y, Brandbyge M, Smit RHM, Hansen K, Chen LY, Yanson AI, Besenbacher F, Van Ruitenbeek JM. Conductance of single-atom platinum contacts: Voltage dependence of the conductance histogram Physical Review B - Condensed Matter and Materials Physics. 67: 2454111-2454114. DOI: 10.1103/Physrevb.67.245411 |
0.365 |
|
| 2003 |
Brandbyge M, Stokbro K, Taylor J, Mozos JL, Ordejón P. Origin of current-induced forces in an atomic gold wire: A first-principles study Physical Review B - Condensed Matter and Materials Physics. 67: 1931041-1931044. DOI: 10.1103/Physrevb.67.193104 |
0.319 |
|
| 2003 |
Stokbro K, Taylor J, Brandbyge M, Mozos JL, Ordejón P. Theoretical study of the nonlinear conductance of Di-thiol benzene coupled to Au(1 1 1) surfaces via thiol and thiolate bonds Computational Materials Science. 27: 151-160. DOI: 10.1016/S0927-0256(02)00439-1 |
0.439 |
|
| 2003 |
Mozos J, Ordejón P, Brandbyge M, Taylor J, Stokbro K. Density functional theory calculations of quantum electron transport: carbon nanotubes-gold contacts Advances in Quantum Chemistry. 42: 299-314. DOI: 10.1016/S0065-3276(03)42057-1 |
0.455 |
|
| 2002 |
Taylor J, Brandbyge M, Stokbro K. Theory of rectification in tour wires: the role of electrode coupling. Physical Review Letters. 89: 138301. PMID 12225068 DOI: 10.1103/Physrevlett.89.138301 |
0.384 |
|
| 2002 |
Nielsen SK, Brandbyge M, Hansen K, Stokbro K, Van Ruitenbeek JM, Besenbacher F. Current-voltage curves of atomic-sized transition metal contacts: an explanation of why Au is Ohmic and Pt is not. Physical Review Letters. 89: 066804. PMID 12190601 DOI: 10.1103/Physrevlett.89.066804 |
0.322 |
|
| 2002 |
Brandbyge M, Mozos JL, Ordejón P, Taylor J, Stokbro K. Density-functional method for nonequilibrium electron transport Physical Review B - Condensed Matter and Materials Physics. 65: 1654011-16540117. DOI: 10.1103/Physrevb.65.165401 |
0.442 |
|
| 2002 |
Mozos JL, Ordejón P, Brandbyge M, Taylor J, Stokbro K. Simulations of quantum transport in nanoscale systems: Application to atomic gold and silver wires Nanotechnology. 13: 346-351. DOI: 10.1088/0957-4484/13/3/321 |
0.443 |
|
| 2002 |
Lin R, Galili M, Quaade UJ, Brandbyge M, Bjørnholm T, Degli Esposti A, Biscarini F, Stokbro K. Spontaneous dissociation of a conjugated molecule on the Si(100) surface Journal of Chemical Physics. 117: 321-330. DOI: 10.1063/1.1480857 |
0.302 |
|
| 2001 |
Brandbyge M, Stokbro K, Taylor J, Mozos JL, Ordejön P. New method for first principles modeling of electron transport through nanoelectronic devices Materials Research Society Symposium - Proceedings. 636: D9251-D9255. DOI: 10.1557/Proc-636-D9.25.1 |
0.367 |
|
| 2000 |
Nakamura A, Brandbyge M, Hansen LB, Jacobsen KW. Nakamura et al. reply: Physical Review Letters. 84: 2549. PMID 11018937 DOI: 10.1103/Physrevlett.84.2549 |
0.46 |
|
| 2000 |
Kobayashi N, Brandbyge M, Tsukada M. First-principles study of electron transport through monatomic Al and Na wires Physical Review B - Condensed Matter and Materials Physics. 62: 8430-8437. DOI: 10.1103/Physrevb.62.8430 |
0.399 |
|
| 2000 |
Hansen K, Nielsen SK, Brandbyge M, Lægsgaard E, Stensgaard I, Besenbacher F. Current-voltage curves of gold quantum point contacts revisited Applied Physics Letters. 77: 708-710. DOI: 10.1063/1.127093 |
0.319 |
|
| 2000 |
Tsukada M, Kobayashi N, Brandbyge M, Nakanishi S. Physics of artificial nano-structures on surfaces Progress in Surface Science. 64: 139-155. DOI: 10.1016/S0079-6816(00)00014-9 |
0.422 |
|
| 1999 |
Kobayashi N, Brandbyge M, Tsukada M. Conductance through Atoms: Dot or Channel? Japanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers. 38: 336-338. DOI: 10.1143/Jjap.38.336 |
0.404 |
|
| 1999 |
Nakamura A, Brandbyge M, Hansen LB, Jacobsen KW. Density functional simulation of a breaking nanowire Physical Review Letters. 82: 1538-1541. DOI: 10.1103/Physrevlett.82.1538 |
0.52 |
|
| 1999 |
Brandbyge M, Kobayashi N, Tsukada M. Conduction channels at finite bias in single-atom gold contacts Physical Review B - Condensed Matter and Materials Physics. 60: 17064-17070. DOI: 10.1103/Physrevb.60.17064 |
0.357 |
|
| 1998 |
Brandbyge M, Tsukada M. Local density of states from transmission amplitudes in multichannel systems Physical Review B - Condensed Matter and Materials Physics. 57: R15088-R15091. DOI: 10.1103/Physrevb.57.R15088 |
0.371 |
|
| 1998 |
Sørensen MR, Brandbyge M, Jacobsen KW. Mechanical deformation of atomic-scale metallic contacts: Structure and mechanisms Physical Review B - Condensed Matter and Materials Physics. 57: 3283-3294. DOI: 10.1103/Physrevb.57.3283 |
0.539 |
|
| 1998 |
Tsukada M, Kobayashi N, Brandbyge M. Theory of electron transmission through atom bridges Progress in Surface Science. 59: 245-254. DOI: 10.1016/S0079-6816(98)00050-1 |
0.397 |
|
| 1997 |
Brandbyge M, Sørensen MR, Jacobsen KW. Conductance eigenchannels in nanocontacts Physical Review B - Condensed Matter and Materials Physics. 56: 14956-14959. DOI: 10.1103/Physrevb.56.14956 |
0.625 |
|
| 1997 |
Brandbyge M, Jacobsen KW, Nørskov JK. Scattering and conductance quantization in three-dimensional metal nanocontacts Physical Review B - Condensed Matter and Materials Physics. 55: 2637-2650. DOI: 10.1103/Physrevb.55.2637 |
0.531 |
|
| 1996 |
Olesen L, Brandbyge M, Sorensen MR, Jacobsen KW, Lægsgaard E, Stensgaard I, Besenbacher F. Apparent barrier height in scanning tunneling microscopy revisited. Physical Review Letters. 76: 1485-1488. PMID 10061735 DOI: 10.1103/Physrevlett.76.1485 |
0.529 |
|
| 1995 |
Brandbyge M, Hedegård P, Heinz TF, Misewich JA, Newns DM. Electronically driven adsorbate excitation mechanism in femtosecond-pulse laser desorption. Physical Review. B, Condensed Matter. 52: 6042-6056. PMID 9981795 DOI: 10.1103/Physrevb.52.6042 |
0.593 |
|
| 1995 |
Brandbyge M, Schiotz J, Sorensen MR, Stoltze P, Jacobsen KW, Norskov JK, Olesen L, Laegsgaard E, Stensgaard I, Besenbacher F. Quantized conductance in atom-sized wires between two metals. Physical Review. B, Condensed Matter. 52: 8499-8514. PMID 9979855 DOI: 10.1103/Physrevb.52.8499 |
0.602 |
|
| 1994 |
Brandbyge M, Hedegård P. Theory of the Eigler switch. Physical Review Letters. 72: 2919-2922. PMID 10056018 DOI: 10.1103/Physrevlett.72.2919 |
0.666 |
|
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