Alessandro Pecchia
Alessandro Pecchia
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DFTB+, a software package for efficient approximate density functional theory based atomistic simulations
B Hourahine, B Aradi, V Blum, F Bonafé, A Buccheri, C Camacho, ...
The Journal of chemical physics 152 (12), 2020
Titanium-carbide MXenes for work function and interface engineering in perovskite solar cells
A Agresti, A Pazniak, S Pescetelli, A Di Vito, D Rossi, A Pecchia, ...
Nature materials 18 (11), 1228-1234, 2019
Efficiency Drop in Green Light Emitting Diodes: The Role of Random Alloy Fluctuations
M Auf der Maur, A Pecchia, G Penazzi, W Rodrigues, A Di Carlo
Physical review letters 116 (2), 027401, 2016
Atomistic theory of transport in organic and inorganic nanostructures
A Pecchia, A Di Carlo
Reports on Progress in Physics 67 (8), 1497, 2004
Resonant electron heating and molecular phonon cooling in single C 60 junctions
G Schulze, KJ Franke, A Gagliardi, G Romano, CS Lin, AL Rosa, ...
Physical review letters 100 (13), 136801, 2008
Non-equilibrium Green's functions in density functional tight binding: method and applications
A Pecchia, G Penazzi, L Salvucci, A Di Carlo
New Journal of Physics 10 (6), 065022, 2008
Understanding the inelastic electron-tunneling spectra of alkanedithiols on gold
GC Solomon, A Gagliardi, A Pecchia, T Frauenheim, A Di Carlo, ...
The Journal of chemical physics 124 (9), 2006
Incoherent Electron− Phonon Scattering in Octanethiols
A Pecchia, A Di Carlo, A Gagliardi, S Sanna, T Frauenheim, R Gutierrez
Nano letters 4 (11), 2109-2114, 2004
The multiscale paradigm in electronic device simulation
MA Der Maur, G Penazzi, G Romano, F Sacconi, A Pecchia, A Di Carlo
IEEE Transactions on electron devices 58 (5), 1425-1432, 2011
Theory of heat dissipation in molecular electronics
A Pecchia, G Romano, A Di Carlo
Physical Review B 75 (3), 035401, 2007
Tailorable Acceptor C 60− n B n and Donor C 60− m N m Pairs for Molecular Electronics
RH Xie, GW Bryant, J Zhao, VH Smith Jr, A Di Carlo, A Pecchia
Physical review letters 90 (20), 206602, 2003
Anisotropic thermoelectric response in two-dimensional puckered structures
L Medrano Sandonas, D Teich, R Gutierrez, T Lorenz, A Pecchia, ...
The Journal of Physical Chemistry C 120 (33), 18841-18849, 2016
A priori method for propensity rules for inelastic electron tunneling spectroscopy of single-molecule conduction
A Gagliardi, GC Solomon, A Pecchia, T Frauenheim, A Di Carlo, NS Hush, ...
Physical Review B 75 (17), 174306, 2007
Role of ferroelectric nanodomains in the transport properties of perovskite solar cells
A Pecchia, D Gentilini, D Rossi, M Auf der Maur, A Di Carlo
Nano letters 16 (2), 988-992, 2016
Nonlinear work function tuning of lead‐halide perovskites by MXenes with mixed terminations
A Di Vito, A Pecchia, M Auf der Maur, A Di Carlo
Advanced Functional Materials 30 (47), 1909028, 2020
On the importance of ferroelectric domains for the performance of perovskite solar cells
D Rossi, A Pecchia, MA der Maur, T Leonhard, H Röhm, MJ Hoffmann, ...
Nano Energy 48, 20-26, 2018
Charge-carrier mobilities in binary mixtures of discotic triphenylene derivatives as a function of temperature
BR Wegewijs, LDA Siebbeles, N Boden, RJ Bushby, B Movaghar, ...
Physical Review B 65 (24), 245112, 2002
Schottky barrier height at an organic/metal junction: A first-principles study of PTCDA/X (X= A l, Ag) contacts
S Picozzi, A Pecchia, M Gheorghe, A Di Carlo, P Lugli, B Delley, M Elstner
Physical Review B 68 (19), 195309, 2003
Molecular origins of conduction channels observed in shot-noise measurements
GC Solomon, A Gagliardi, A Pecchia, T Frauenheim, A Di Carlo, ...
Nano letters 6 (11), 2431-2437, 2006
Photoconductive transients and one-dimensional charge carrier dynamics in discotic liquid crystals
A Pecchia, OR Lozman, B Movaghar, N Boden, RJ Bushby, KJ Donovan, ...
Physical Review B 65 (10), 104204, 2002
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