Menno Bokdam
TitoloCitata daAnno
Tunable ferroelectric polarization and its interplay with spin–orbit coupling in tin iodide perovskites
A Stroppa, D Di Sante, P Barone, M Bokdam, G Kresse, C Franchini, ...
Nature communications 5, 5900, 2014
1632014
Electrostatic doping of graphene through ultrathin hexagonal boron nitride films
M Bokdam, PA Khomyakov, G Brocks, Z Zhong, PJ Kelly
Nano letters 11 (11), 4631-4635, 2011
1022011
Role of polar phonons in the photo excited state of metal halide perovskites
M Bokdam, T Sander, A Stroppa, S Picozzi, DD Sarma, C Franchini, ...
Scientific reports 6, 28618, 2016
972016
Band gaps in incommensurable graphene on hexagonal boron nitride
M Bokdam, T Amlaki, G Brocks, PJ Kelly
Physical Review B 89 (20), 201404, 2014
702014
Schottky barriers at hexagonal boron nitride/metal interfaces: A first-principles study
M Bokdam, G Brocks, MI Katsnelson, PJ Kelly
Physical Review B 90 (8), 085415, 2014
522014
Fermi level pinning by integer charge transfer at electrode-organic semiconductor interfaces
M Bokdam, D akır, G Brocks
Applied physics letters 98 (11), 59, 2011
452011
Room-temperature dynamic correlation between methylammonium molecules in lead-iodine based perovskites: An ab initio molecular dynamics perspective
J Lahnsteiner, G Kresse, A Kumar, DD Sarma, C Franchini, M Bokdam
Physical Review B 94 (21), 214114, 2016
352016
Field effect doping of graphene in metal| dielectric| graphene heterostructures: A model based upon first-principles calculations
M Bokdam, PA Khomyakov, G Brocks, PJ Kelly
Physical Review B 87 (7), 075414, 2013
302013
Z 2 Invariance of Germanene on MoS 2 from First Principles
T Amlaki, M Bokdam, PJ Kelly
Physical review letters 116 (25), 256805, 2016
282016
Modeling charge transfer at organic donor-acceptor semiconductor interfaces
D Cakir, M Bokdam, MP de Jong, M Fahlman, G Brocks
Applied physics letters 100 (20), 109, 2012
272012
Assessing density functionals using many body theory for hybrid perovskites
M Bokdam, J Lahnsteiner, B Ramberger, T Schfer, G Kresse
Physical review letters 119 (14), 145501, 2017
232017
Dipole order in halide perovskites: Polarization and Rashba band splittings
S Hu, H Gao, Y Qi, Y Tao, Y Li, JR Reimers, M Bokdam, C Franchini, ...
The Journal of Physical Chemistry C 121 (41), 23045-23054, 2017
222017
Behavior of Methylammonium Dipoles in MAPbX3 (X = Br and I)
S Govinda, BP Kore, M Bokdam, P Mahale, A Kumar, S Pal, ...
The journal of physical chemistry letters 8 (17), 4113-4121, 2017
222017
Charge equilibration and potential steps in organic semiconductor multilayers
G Brocks, D akır, M Bokdam, MP de Jong, M Fahlman
Organic electronics 13 (10), 1793-1801, 2012
212012
Finite-temperature structure of the MAPbI3 perovskite: Comparing density functional approximations and force fields to experiment
B Lahnsteiner, Kresse, Heinen
Phys. Rev. Materials 2 (7), 073604, 2018
102018
Finite-temperature structure of the perovskite: Comparing density functional approximations and force fields to experiment
J Lahnsteiner, G Kresse, J Heinen, M Bokdam
Physical Review Materials 2 (7), 073604, 2018
102018
Large potential steps at weakly interacting metal-insulator interfaces
M Bokdam, G Brocks, PJ Kelly
Physical Review B 90 (20), 201411, 2014
102014
Phase Transitions of Hybrid Perovskites Simulated by Machine-Learning Force Fields Trained on the Fly with Bayesian Inference
R Jinnouchi, J Lahnsteiner, F Karsai, G Kresse, M Bokdam
Physical Review Letters 122 (22), 225701, 2019
62019
The essence of long-range order in hybrid perovskites
J Lahnsteiner, R Jinnouchi, M Bokdam
arXiv preprint arXiv:1905.12540, 2019
12019
Long-range order imposed by short-range interactions in methylammonium lead iodide: Comparing point-dipole models to machine-learning force fields
J Lahnsteiner, R Jinnouchi, M Bokdam
Physical Review B 100 (9), 094106, 2019
2019
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Articoli 1–20