Alessio Gagliardi
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Dye-sensitized solar cells under ambient light powering machine learning: towards autonomous smart sensors for the internet of things
H Michaels, M Rinderle, R Freitag, I Benesperi, T Edvinsson, R Socher, ...
Chemical Science 11 (11), 2895-2906, 2020
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—Condensed Matter and Materials Physics 75 (17), 174306, 2007
Resonant Electron Heating and Molecular Phonon Cooling in Single Junctions
G Schulze, KJ Franke, A Gagliardi, G Romano, CS Lin, AL Rosa, ...
Physical review letters 100 (13), 136801, 2008
Tuning halide perovskite energy levels
L Canil, T Cramer, B Fraboni, D Ricciarelli, D Meggiolaro, A Singh, M Liu, ...
Energy & Environmental Science 14 (3), 1429-1438, 2021
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
Optimizing the size of platinum nanoparticles for enhanced mass activity in the electrochemical oxygen reduction reaction
B Garlyyev, K Kratzl, M Rück, J Michalička, J Fichtner, JM Macak, T Kratky, ...
Angewandte Chemie International Edition 58 (28), 9596-9600, 2019
Mesoporous electron-selective contacts enhance the tolerance to interfacial ion accumulation in perovskite solar cells
A Gagliardi, A Abate
ACS Energy Letters 3 (1), 163-169, 2017
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
Electronic and transport properties of silicon nanowires
F Sacconi, MP Persson, M Povolotskyi, L Latessa, A Pecchia, A Gagliardi, ...
Journal of Computational Electronics 6, 329-333, 2007
Machine learning stability and bandgaps of lead‐free perovskites for photovoltaics
JC Stanley, F Mayr, A Gagliardi
Advanced Theory and Simulations 3 (1), 1900178, 2020
Oxygen reduction reaction: rapid prediction of mass activity of nanostructured platinum electrocatalysts
M Rück, A Bandarenka, F Calle-Vallejo, A Gagliardi
The journal of physical chemistry letters 9 (15), 4463-4468, 2018
Generalized kinetic Monte Carlo framework for organic electronics
W Kaiser, J Popp, M Rinderle, T Albes, A Gagliardi
Algorithms 11 (4), 37, 2018
Heating and cooling mechanisms in single-molecule junctions
G Romano, A Gagliardi, A Pecchia, A Di Carlo
Physical Review B—Condensed Matter and Materials Physics 81 (11), 115438, 2010
Influence of the interface material layers and semiconductor energetic disorder on the open circuit voltage in polymer solar cells
A Zampetti, AH Fallahpour, M Dianetti, L Salamandra, F Santoni, ...
Journal of Polymer Science Part B: Polymer Physics 53 (10), 690-699, 2015
Machine learning–based charge transport computation for pentacene
J Lederer, W Kaiser, A Mattoni, A Gagliardi
Advanced Theory and Simulations 2 (2), 1800136, 2019
The symmetry of single-molecule conduction
GC Solomon, A Gagliardi, A Pecchia, T Frauenheim, A Di Carlo, ...
The Journal of chemical physics 125 (18), 2006
Charge carrier mobility of disordered organic semiconductors with correlated energetic and spatial disorder
W Kaiser, T Albes, A Gagliardi
Physical Chemistry Chemical Physics 20 (13), 8897-8908, 2018
Modeling and simulation of energetically disordered organic solar cells
AH Fallahpour, A Gagliardi, F Santoni, D Gentilini, A Zampetti, ...
Journal of Applied Physics 116 (18), 2014
The green's function density functional tight-binding (gDFTB) method for molecular electronic conduction
JR Reimers, GC Solomon, A Gagliardi, A Bilić, NS Hush, T Frauenheim, ...
The Journal of Physical Chemistry A 111 (26), 5692-5702, 2007
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