Singh, Chandra Veer - University of Toronto - Department of Materials Science and Engineering

个人简介

Dr. Singh is the Erwin Edward Hart Endowed Associate Professor of Materials Science and Engineering, and the Associate Chair of Research for the MSE department, with an expertise in computational materials engineering. His research group focuses on atomistic and multiscale modeling of materials, using techniques such as density functional theory, molecular dynamics and machine learning. His group has contributed significantly to the design and development of graphene and other 2D materials for energy storage and structural applications. He has authored more than 100 peer-reviewed publications; including in esteemed journals such as Advanced Materials, Science Advances, Nature Catalysis, PNAS, Nature Communications, Energy & Environmental Science, JACS, Energy Stoage Materials, and Nano Letters. He has also won several prestigious awards such as Ontario New Researcher Award, $1M Connaught Global Challenge (team award), Hart Professorship, and NSERC Accelerator Supplement. During last seven years at UofT, he has trained over 80 graduate students and postdoctoral researchers. He is a member of Compute Canada Resource Allocation Committee and TMS ICME committee, and actively participates in journal paper and grant reviewing at the international level. Professional Memberships Professional Engineers Ontario (PEO) Materials Research Society (MRS) The Minerals, Metals & Materials Society (TMS), Lifetime Member American Chemical Society (ACS) The American Society of Mechanical Engineers (ASME)

研究领域

Computational materials science: Density functional theory (DFT), molecular dynamics (MD), Multiscale modeling. 2D materials: Graphene, graphene oxide, Borophene, MoS2, TMDs, MXenes. Machine learning: For processing-structure-property relationships, alloy design, catalyst design, and development of interatomic potentials and force fields. Energy conversion and storage: Metal-ion batteries, CO2 reduction, Photocatalysis; Hydrogen production and storage. Failure of advanced materials: Understanding damage and failure at multiple length and time -scales in metals, alloys and composites.

近期论文

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Lu, Z., Chen, Z. W., & Singh, C. V. (2020). Neural Network-Assisted Development of High-Entropy Alloy Catalysts: Decoupling Ligand and Coordination Effects, Matter, published online. DOI: 10.1016/j.matt.2020.07.029 Daly, M., Kumar, A., Singh, C. V., & Hibbard, G. (2020). On the competition between nucleation and thickening in deformation twinning of face-centered cubic metals, International Journal of Plasticity, 102702. DOI: 10.1016/j.ijplas.2020.102702 Najafi, F., Wang, G., Mukherjee, S., Cui, T., Filleter, T., & Singh, C. V. (2020). Toughening of graphene-based polymer nanocomposites via tuning chemical functionalization, Composites Science and Technology, 194, 108140. DOI: 10.1016/j.compscitech.2020.108140 Huxter, W. S., Singh, C. V., & Nogami, J. (2020). Hindered surface diffusion of bonded molecular clusters mediated by surface defects. , Physical Review Materials, accepted. Mukherjee, S., Kavalsky, L., Chattopadhyay, K., & Singh, C. V. (2020). Dramatic improvement in the performance of graphene as Li/Na battery anodes with suitable electrolytic solvents, Carbon, 161, 570-576. DOI: 10.1016/j.carbon.2020.02.001 Chen, D., Chen, Z. W., Lu, Z., Zhang, X., Tang, J., & Singh, C. V. (2020). Transition metal-N4 embedded black phosphorus carbide as high-performance bifunctional electrocatalyst for ORR/OER, Nanoscale, published online. DOI: 10.1039/D0NR03339A Li, F. C., Nicholson, E., Singh, C. V., & Kishen, A. (2020). Microtissue engineering root dentin with photodynamically cross-linked nanoparticles improves fatigue resistance of endodontically treated teeth, Journal of Endodontics, 46(5), 668-674. DOI: 10.1016/j.joen.2020.01.021 Kavalsky, L., Mukherjee, S., & Singh, C. V. (2020). Compression-induced resistance of singlet oxygen dissociation on phosphorene, Physical Review Materials, 4(2), 021001. DOI: 10.1103/PhysRevMaterials.4.021001 Chen, D., Chen, Z., Zhang, X., Lu, Z., Xiao, S., Xiao, B., & Singh, C. V. (2020). Exploring single atom catalysts of transition-metal doped phosphorus carbide monolayer for HER: A first-principles study, Journal of Energy Chemistry, 52, 155-162. DOI: 10.1016/j.jechem.2020.03.061 Jiang, M., Gong, H., Xiao, H., Singh, C. V., Liu, Z., Qiao, L., & Zu, X. (2020). Effects of temperature and energy on the radiation response of GaAs/AlAs and GaAs/AlGaAs superlattices, Radiation Physics and Chemistry, 174, 108983. DOI: 10.1016/j.radphyschem.2020.108983 S. Mukherjee, R. Alicandri, and C.V. Singh (2020), Strength of curvilinear grain boundaries in graphene, Carbon, 158, 808-817. DOI: 10.1016/j.carbon.2019.11.058 H. Sun, and C. V. Singh (2020), The temperature dependence of grain boundary excess free volume, Scripta Materialia, 178, 71-76. DOI: 10.1016/j.scriptamat.2019.10.046 M. Somireddy, C.V. Singh, and A. Czekanski (2020), Mechanical behaviour of 3D printed composite parts with short carbon fiber reinforcements, Engineering Failure Analysis, 107, 104232. DOI: 10.1016/j.engfailanal.2019.104232 J. Lu, S. Yadav, and C.V. Singh (2020), Predicting aggregation energy for single atom bimetallic catalysts on clean and O* adsorbed surfaces through machine learning models, Catalysis Science & Technology, published online. DOI: 10.1016/j.msea.2019.138581 M. A. Daly, S. Haldar, V. K. Rajendran, J. McCrea, G. D. Hibbard, and C. V. Singh (2020), Size effects in strengthening of NiCo multilayers with modulated microstructures, Materials Science and Engineering: A, 771, 138581. DOI: 10.1016/j.msea.2019.138581 W. Y. Pao, S. Haldar, and C. V. Singh (2020), Performance analysis of composite helicopter blade using synergistic damage mechanics approach, AIAA Journal, 58(2), 968-976. DOI: 10.2514/1.J058503 H. Sun, S. Fu, C. Chen, Z. Wang, and C.V. Singh (2019), Kinetics of detwinning arising from annealing in chemical vapor deposited nickel, Acta Materialia, 178, 263-274. DOI: 10.1016/j.actamat.2019.08.010 T. Arif, S. Yadav, G. Colas, C. V. Singh, and T. Filleter (2019), Understanding the independent and interdependent role of water and oxidation on the tribology of ultrathin molybdenum disulfide (MoS2), Advanced Materials Interfaces, 6 (22), 1901246. DOI: 10.1002/admi.201901246 H. Sun, A. Kumar, and C. V. Singh (2019), Deformation behavior of BCC tantalum nanolayered composites with modulated layer thicknesses, Materials Science and Engineering: A, 761, 138037. DOI: 10.1016/j.msea.2019.138037 S. Grixti, S. Yadav, S. Thorpe, and C.V. Singh (2019), Atomic structure of Ni-Nb-Y amorphous alloys and water-surface adsorption characteristics, Computational Materials Science, 169, 109095. DOI: 10.1016/j.commatsci.2019.10905 G. Dhaliwal, P.B. Nair, and C.V. Singh (2019), Uncertainty and sensitivity analysis of mechanical and thermal properties computed through embedded atom method potential, Computational Materials Science, 166, 30-41. DOI: 10.1016/j.commatsci.2019.03.060 P. Peng, H. Sun, A.P. Gerlich, W. Guo, Y. Zhu, L. Liu, G. Zou, C.V. Singh, and Y. N. Zhou (2019), Near-ideal compressive strength of nanoporous silver composed of nanowires, Acta Materiala, 173, 163-173. DOI: 10.1016/j.actamat.2019.05.011 M. Somireddy, C.V. Singh, and A. Czekanski (2019), Analysis of the material behavior of 3D printed laminates via FFF, Experimental Mechanics, available online. DOI: 10.1007/s11340-019-00511-5 T. J. Berton, and C.V. Singh (2019), Atomistic study of crack-tip plasticity in precipitation hardened monocrystalline aluminum, Modeling & Simulations in Materials Science & Engineering, published online. DOI: 10.1088/1361-651X/ab20ae W.S. Huxter, K. Huang, J. Nogami, and C.V. Singh (2019), How silver grows on the silicon (001) surface: A theoretical and experimental investigation, ACS Applied Electronic Materials, 1 (1), 122-131. DOI: 10.1021/acsaelm.8b00058 M. Makaremi, B. Mortazavi, T. Rabczuk, G. Ozin, and C V. Singh (2019), Theoretical investigation: 2D N-graphdiyne nanosheets with promising anode characteristics for Li/Na rechargeable storage devices, ACS Applied Nano Materials, 2 (1), 127-135. DOI: 10.1021/acsanm.8b01751 S. Yadav, and C.V. Singh (2019), Molecular adsorption and surface formation reactions of HCl, H2 and chlorosilanes on Si(100)-c(4x2) with applications for high purity silicon production, Applied Surface Science, 475, 124-134. DOI: 10.1016/j.apsusc.2018.12.253 C. Qian, W. Sun, D.L.H. Hung, C. Qiu, M. Makaremi, S.G.H. Kumar, L. Wan, M. Ghoussoub, T. Wood, X. Xia, A. Tountas, Y.F. Li, L. Wang, Y. Dong, I. Gourevich, C.V. Singh, and G.A. Ozin (2019), Catalytic CO2 reduction by palladium decorated silicon hydride nanosheets, Nature Catalysis, 2, 46-54. DOI: 10.1038/s41929-018-0199-x H. Sun, Z. Shi, S. Mukherjee, and C.V. Singh (2019), Elastomer-like deformation in high-Poisson's-ratio graphene allotropes may allow tensile strengths beyond theoretical cohesive strength limits, Carbon, 143, 752-761. DOI: 10.1016/j.carbon.2018.11.079 M. Kumar, E. Nicholson, D.W. Kirk, S. J. Thorpe, and C.V. Singh (2019), Short range structural origins of serration events in metallic glasses, Journal of Alloys & Compounds, 787, 840-850. DOI: 10.1016/j.jallcom.2019.02.037 L. Kavalsky, S. Mukherjee, and C.V. Singh (2019), Phosphorene as a catalyst for highly efficient nonaqueous Li-air batteries, ACS Applied Materials & Interfaces, 11 (1), 499-510. DOI: 10.1021/acsami.8b13505 T. Berton, Najafi, F., and C. V. Singh (2019), Development and implementation of a multi-scale model for matrix micro-cracking prediction in composite structures subjected to low velocity impact, Composites B, 168, 140-151. DOI: 10.1016/j.compositesb.2018.12.033 G. Dhaliwal, P.B. Nair, and C.V. Singh (2019), Uncertainty analysis and estimation of robust AIREBO parameters for graphene, Carbon, 142, 300-310. DOI: 10.1016/j.carbon.2018.10.020