Nicolas Onofrio
Nicolas Onofrio
Software for Chemistry & Materials
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Exceptional catalytic effects of black phosphorus quantum dots in shuttling-free lithium sulfur batteries
ZL Xu, S Lin, N Onofrio, L Zhou, F Shi, W Lu, K Kang, Q Zhang, SP Lau
Nature Communications 9 (1), 4164, 2018
Enhanced sieving from exfoliated MoS2 membranes via covalent functionalization
L Ries, E Petit, T Michel, CC Diogo, C Gervais, C Salameh, M Bechelany, ...
Nature Materials 18 (10), 1112-1117, 2019
Atomic origin of ultrafast resistance switching in nanoscale electrometallization cells
N Onofrio, D Guzman, A Strachan
Nature materials 14 (4), 440-446, 2015
Novel doping alternatives for single-layer transition metal dichalcogenides
N Onofrio, D Guzman, A Strachan
Journal of Applied Physics 122 (18), 2017
Improved electrochemical conversion of CO2 to multicarbon products by using molecular doping
WU Huali, J Li, K Qi, Y Zhang, E Petit, W Wang, V Flaud, N Onofrio, ...
Nature communications 12 (7210), 1-11, 2021
Voltage equilibration for reactive atomistic simulations of electrochemical processes
N Onofrio, A Strachan
The Journal of chemical physics 143 (5), 2015
Analysis of the Singlet–Triplet Splitting Computed by the Density Functional Theory–Broken-Symmetry Method: Is It an Exchange Coupling Constant?
N Onofrio, JM Mouesca
Inorganic Chemistry 50 (12), 5577-5586, 2011
Opportunities and challenges of 2D materials in back-end-of-line interconnect scaling
CL Lo, BA Helfrecht, Y He, DM Guzman, N Onofrio, S Zhang, D Weinstein, ...
Journal of Applied Physics 128 (8), 2020
Valence bond/broken symmetry analysis of the exchange coupling constant in copper (II) dimers. Ferromagnetic contribution exalted through combined ligand topology and (singlet …
N Onofrio, JM Mouesca
The Journal of Physical Chemistry A 114 (20), 6149-6156, 2010
Unlocking direct CO2 electrolysis to C3 products via electrolyte supersaturation
K Qi, Y Zhang, N Onofrio, E Petit, X Cui, J Ma, J Fan, H Wu, W Wang, J Li, ...
Nature Catalysis 6 (4), 319-331, 2023
Boosting the anchoring and catalytic capability of MoS 2 for high-loading lithium sulfur batteries
ZL Xu, N Onofrio, J Wang
Journal of Materials Chemistry A 8 (34), 17646-17656, 2020
Stability and migration of small copper clusters in amorphous dielectrics
DM Guzman, N Onofrio, A Strachan
Journal of Applied Physics 117 (19), 2015
First principles investigation of copper and silver intercalated molybdenum disulfide
DM Guzman, N Onofrio, A Strachan
Journal of Applied Physics 121 (5), 2017
Modeling resistive switching materials and devices across scales
S Ambrogio, B Magyari-Köpe, N Onofrio, M Mahbubul Islam, D Duncan, ...
Journal of Electroceramics 39, 39-60, 2017
Atomistic simulations of electrochemical metallization cells: mechanisms of ultra-fast resistance switching in nanoscale devices
N Onofrio, D Guzman, A Strachan
Nanoscale 8 (29), 14037-14047, 2016
High-surface-area functionalized nanolaminated membranes for energy-efficient nanofiltration and desalination in forward osmosis
W Wang, N Onofrio, E Petit, BA Karamoko, H Wu, J Liu, J Li, K Qi, Y Zhang, ...
Nature Water 1 (2), 187-197, 2023
Magnetic properties of a doped linear polyarylamine bearing a high concentration of coupled spins (S= 1)
V Maurel, M Jouni, P Baran, N Onofrio, S Gambarelli, JM Mouesca, ...
Physical Chemistry Chemical Physics 14 (4), 1399-1407, 2012
Molecular dynamic simulation of tip-polymer interaction in tapping-mode atomic force microscopy
N Onofrio, GN Venturini, A Strachan
Journal of Applied Physics 114 (9), 2013
Stable liquid-sulfur generation on transition-metal dichalcogenides toward low-temperature lithium–sulfur batteries
F Shi, N Onofrio, C Chen, S Cai, Y Li, L Zhai, L Zhuang, ZL Xu, SP Lau
ACS nano 16 (9), 14412-14421, 2022
Interactions between copper and transition metal dichalcogenides: A density functional theory study
BA Helfrecht, DM Guzman, N Onofrio, AH Strachan
Physical Review Materials 1 (3), 034001, 2017
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