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Shwetank Yadav
Shwetank Yadav
Verified email at mail.utoronto.ca
Title
Cited by
Cited by
Year
Adsorption and Dissociation of H2O on Monolayered MoS2 Edges: Energetics and Mechanism from ab Initio Simulations
KK Ghuman, S Yadav, CV Singh
The Journal of Physical Chemistry C 119 (12), 6518-6529, 2015
1192015
Defect engineering of graphene for effective hydrogen storage
S Yadav, Z Zhu, CV Singh
international journal of hydrogen energy 39 (10), 4981-4995, 2014
1132014
Metadynamics-Biased ab Initio Molecular Dynamics Study of Heterogeneous CO2 Reduction via Surface Frustrated Lewis Pairs
M Ghoussoub, S Yadav, KK Ghuman, GA Ozin, CV Singh
ACS Catalysis 6 (10), 7109-7117, 2016
842016
A first principles study of hydrogen storage on lithium decorated two dimensional carbon allotropes
S Yadav, J Tam, CV Singh
international journal of hydrogen energy 40 (18), 6128-6136, 2015
612015
Solar grade silicon production: A review of kinetic, thermodynamic and fluid dynamics based continuum scale modeling
S Yadav, K Chattopadhyay, CV Singh
Renewable and sustainable energy reviews 78, 1288-1314, 2017
522017
A van der Waals density functional theory comparison of metal decorated graphene systems for hydrogen adsorption
J Wong, S Yadav, J Tam, C Veer Singh
Journal of Applied Physics 115 (22), 2014
402014
Predicting aggregation energy for single atom bimetallic catalysts on clean and O* adsorbed surfaces through machine learning models
Z Lu, S Yadav, CV Singh
Catalysis Science & Technology 10 (1), 86-98, 2020
372020
Understanding the Independent and Interdependent Role of Water and Oxidation on the Tribology of Ultrathin Molybdenum Disulfide (MoS2)
T Arif, S Yadav, G Colas, CV Singh, T Filleter
Advanced Materials Interfaces 6 (22), 1901246, 2019
302019
Friction of magnetene, a non–van der Waals 2D material
P Serles, T Arif, AB Puthirath, S Yadav, G Wang, T Cui, AP Balan, ...
Science advances 7 (47), eabk2041, 2021
242021
Molecular adsorption and surface formation reactions of HCl, H2 and chlorosilanes on Si (100)-c (4× 2) with applications for high purity silicon production
S Yadav, CV Singh
Applied Surface Science 475, 124-134, 2019
122019
First Principles Investigation of HCl, H2, and Chlorosilane Adsorption on Cu3Si Surfaces with Applications for Polysilicon Production
S Yadav, CV Singh
The Journal of Physical Chemistry C 122 (35), 20252-20260, 2018
112018
Interfacial interactions and tribological behavior of metal-oxide/2D-material contacts
S Yadav, T Arif, G Wang, RNS Sodhi, YH Cheng, T Filleter, CV Singh
Tribology Letters 69 (3), 91, 2021
102021
Atomic structure of Ni-Nb-Y amorphous alloys and water-surface adsorption characteristics
S Grixti, S Yadav, S Thorpe, CV Singh
Computational Materials Science 169, 109095, 2019
32019
Automatically Capturing Key Features for Predicting Superionic Conductivity of Solid-State Electrolytes Using a Neural Network
Z Lu, P Adeli, CH Yim, M Jiang, J Rempel, ZW Chen, S Yadav, P Mercier, ...
ACS Applied Energy Materials 5 (7), 8042-8048, 2022
22022
First principles investigation of nanomaterials for hydrogen generation and hydrogen storage
S Yadav
University of Toronto (Canada), 2015
12015
Multiscale Modelling of Hydrochlorination Reactions for Solar Grade Silicon Production
S Yadav
University of Toronto (Canada), 2021
2021
Multiscale Simulations of Hydrochlorination on Si and Cu3si Surfaces with Applications for Polysilicon Production
S Yadav, CV Singh
Available at SSRN 4492518, 0
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