| 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 | 126 | 2015 |
| Defect engineering of graphene for effective hydrogen storage S Yadav, Z Zhu, CV Singh International journal of hydrogen energy 39 (10), 4981-4995, 2014 | 118 | 2014 |
| 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 | 90 | 2016 |
| 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 | 64 | 2015 |
| 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 | 54 | 2017 |
| 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 | 45 | 2014 |
| 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 | 39 | 2020 |
| 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 | 32 | 2019 |
| 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 | 29 | 2021 |
| 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 | 14 | 2019 |
| 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 | 11 | 2021 |
| 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 | 11 | 2018 |
| 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 | 3 | 2022 |
| 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 | 3 | 2019 |
| First principles investigation of nanomaterials for hydrogen generation and hydrogen storage S Yadav University of Toronto (Canada), 2015 | 1 | 2015 |
| Multifunctional Applications Enabled by Fluorination of Hexagonal Boron Nitride D Salpekar, P Serles, G Colas, L Ma, S Yadav, M Hamidinejad, ... Small, 2311836, 2024 | | 2024 |
| 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 | | |
Chandra Veer SinghProfessor of Materials Science & Engineering; University of Toronto在 utoronto.ca 的电子邮件经过验证
