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Qing Zhao
Qing Zhao
Assistant Professor of Chemical Engineering, Northeastern University
E-mail confirmado em northeastern.edu - Página inicial
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Revisiting Understanding of Electrochemical CO2 Reduction on Cu(111): Competing Proton-Coupled Electron Transfer Reaction Mechanisms Revealed by …
Q Zhao, JMP Martirez, EA Carter
Journal of the American Chemical Society 143 (16), 6152-6164, 2021
692021
Where does the density localize in the solid state? Divergent behavior for hybrids and DFT+ U
Q Zhao, HJ Kulik
Journal of chemical theory and computation 14 (2), 670-683, 2018
682018
The Effects of Diameter and Chirality in the Thermal Transport in Free-Standing and Supported Carbon-Nanotubes
B Qiu, Y Wang, Q Zhao, X Ruan
International Conference on Micro/Nanoscale Heat Transfer 54778, 633-638, 2012
552012
Global and local curvature in density functional theory
Q Zhao, EI Ioannidis, HJ Kulik
The Journal of chemical physics 145 (5), 2016
502016
Density functional theory for modelling large molecular adsorbate–surface interactions: a mini-review and worked example
JP Janet, Q Zhao, EI Ioannidis, HJ Kulik
Molecular Simulation 43 (5-6), 327-345, 2017
442017
Facile synthesis of ultra-small Bi2Te3 nanoparticles, nanorods and nanoplates and their morphology-dependent Raman spectroscopy
L Chen, Q Zhao, X Ruan
Materials Letters 82, 112-115, 2012
362012
Electronic structure origins of surface-dependent growth in III–V quantum dots
Q Zhao, HJ Kulik
Chemistry of Materials 30 (20), 7154-7165, 2018
332018
Stable surfaces that bind too tightly: Can range-separated hybrids or DFT+ U improve paradoxical descriptions of surface chemistry?
Q Zhao, HJ Kulik
The journal of physical chemistry letters 10 (17), 5090-5098, 2019
312019
Charting C–C coupling pathways in electrochemical CO2 reduction on Cu(111) using embedded correlated wavefunction theory
Q Zhao, JMP Martirez, EA Carter
Proceedings of the National Academy of Sciences 119 (44), e2202931119, 2022
292022
Benchmarking an Embedded Adaptive Sampling Configuration Interaction Method for Surface Reactions: H2 Desorption from and CH4 Dissociation on Cu(111)
Q Zhao, X Zhang, JMP Martirez, EA Carter
Journal of Chemical Theory and Computation 16 (11), 7078-7088, 2020
282020
Direct observation of early-stage quantum dot growth mechanisms with high-temperature ab initio molecular dynamics
L Xie, Q Zhao, KF Jensen, HJ Kulik
The Journal of Physical Chemistry C 120 (4), 2472-2483, 2016
282016
Highly Selective Electrochemical Reduction of CO2 into Methane on Nanotwinned Cu
J Cai, Q Zhao, WY Hsu, C Choi, Y Liu, JMP Martirez, C Chen, J Huang, ...
Journal of the American Chemical Society 145 (16), 9136-9143, 2023
252023
Revisiting Competing Paths in Electrochemical CO2 Reduction on Copper via Embedded Correlated Wavefunction Theory
Q Zhao, EA Carter
Journal of Chemical Theory and Computation 16 (10), 6528-6538, 2020
232020
Discovering Amorphous Indium Phosphide Nanostructures with High-temperature Ab Initio Molecular Dynamics
Qing Zhao, Lisi Xie, Heather J. Kulik
The Journal of Physical Chemistry C 119 (40), 23238-23249, 2015
172015
Electrochemical hydrogenation of CO on Cu (100): insights from accurate multiconfigurational wavefunction methods
Q Zhao, JMP Martirez, EA Carter
The Journal of Physical Chemistry Letters 13 (44), 10282-10290, 2022
82022
Predicting the stability of fullerene allotropes throughout the periodic table
Q Zhao, SSH Ng, HJ Kulik
The Journal of Physical Chemistry C 120 (30), 17035-17045, 2016
82016
Effects of nanocrystal shape and size on the temperature sensitivity in Raman thermometry
L Chen, K Rickey, Q Zhao, C Robinson, X Ruan
Applied Physics Letters 103 (8), 2013
42013
Benchmarking a Molecular Flake Model on the Road to Programmable Graphene-Based Single-Atom Catalysts
C Gallagher, W Siddiqui, T Arnold, C Cheng, E Su, Q Zhao
The Journal of Physical Chemistry C, 2024
2024
Revisiting Electrochemical CO2 Reduction on Copper: Reaction Mechanisms Revealed By Embedded Correlated Wavefunction Theory
Q Zhao, JMP Martirez, EA Carter
2021 AIChE Annual Meeting, 2021
2021
Revisiting Electrochemical CO2 Reduction on Copper Via Embedded Correlated Wavefunction Theory
Q Zhao, EA Carter
2020 Virtual AIChE Annual Meeting, 2020
2020
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