2020

[J117] 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

[J116] Yang, X., Jiang, M., Gao, X., Bao, D., Sun, Q., Holmes, N., ... & Liang, J. (2020). Determining the limiting factor of the electrochemical stability window for PEO-based solid polymer electrolytes: main chain or terminal-OH group?, Energy & Environmental Science, 13, 1318-1325.
DOI: 10.1039/D0EE00342E

[J115] Cui, T., Mukherjee, S., Sudeep, P. M., Colas, G., Najafi, F., Tam, J., ... & Filleter, T. (2020). Fatigue of graphene, Nature Materials, 19(4), 405-411.
DOI: 10.1038/s41563-019-0586-y

[J114] 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

[J113] Wang, C., Liang, J., Jiang, M., Li, X., Mukherjee, S., Adair, K., ... & Li, R. (2020). Interface-assisted in-situ growth of halide electrolytes eliminating interfacial challenges of all-inorganic solid-state batteries, Nano Energy, 76, 105015.
DOI: 10.1016/j.nanoen.2020.105015

[J112] Serles, P., Sun, H., Colas, G., Tam, J., Nicholson, E., Wang, G., ... & Filleter, T. (2020). Structure-Dependent Wear and Shear Mechanics of Nanostructured MoS2 Coatings. , Advanced Materials Interfaces, 7(14), 1901870.
DOI: 10.1002/admi.201901870

[J111] 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

[J110] Huxter, W. S., Singh, C. V., & Nogami, J. (2020). Hindered surface diffusion of bonded molecular clusters mediated by surface defects. , Physical Review Materials, accepted.

[J109] 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

[J108] 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

[J107] 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

[J106] Chen, Z. W., Chen, L. X., Jiang, M., Chen, D., Wang, Z. L., Yao, X., ... & Jiang, Q. (2020). A triple atom catalyst with ultrahigh loading potential for nitrogen electrochemical reduction, Journal of Materials Chemistry A, 8(30), 15086-15093.
DOI: 10.1039/D0TA04919K

[J105] 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

[J104] Saidi, P., Changizian, P., Nicholson, E., Zhang, H. K., Luo, Y., Yao, Z., ... & Béland, L. K. (2020). Effect of He on the Order-Disorder Transition in Ni3Al under Irradiation, Physical Review Letters, 124(7), 075901.
DOI: 10.1103/PhysRevLett.124.075901

[J103] 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

[J102] 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

[J101] 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

[J100] 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

[J99] 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

[J98] 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

[J97] 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

[J96] 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

2019

[J95] 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

[J94] 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

[J93] 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

[J92] 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

[J91] 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. [PDF]
DOI: 10.1016/j.commatsci.2019.03.060

[J90] 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. [PDF]
DOI: 10.1016/j.actamat.2019.05.011

[J89] M. Somireddy, C.V. Singh, and A. Czekanski (2019), Analysis of the material behavior of 3D printed laminates via FFF, Experimental Mechanics, available online. [PDF]
DOI: 10.1007/s11340-019-00511-5

[J88] 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. [PDF]
DOI: 10.1088/1361-651X/ab20ae

[J87] 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. [PDF]
DOI: 10.1021/acsaelm.8b00058

[J86] 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. [PDF]
DOI: 10.1021/acsanm.8b01751

[J85] 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. [PDF]
DOI: 10.1016/j.apsusc.2018.12.253

[J84] 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. [PDF]
DOI: 10.1038/s41929-018-0199-x

[J83] 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. [PDF]
DOI: 10.1016/j.carbon.2018.11.079

[J82] 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. [PDF]
DOI: 10.1016/j.jallcom.2019.02.037

[J81] 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. [PDF]
DOI: 10.1021/acsami.8b13505

[J80] 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. [PDF]
DOI: 10.1016/j.compositesb.2018.12.033

[J79] G. Dhaliwal, P.B. Nair, and C.V. Singh (2019), Uncertainty analysis and estimation of robust AIREBO parameters for graphene, Carbon, 142, 300-310. [PDF]
DOI: 10.1016/j.carbon.2018.10.020

2018

[J78] O'Brien, P., Ghuman, K., Jelle, A., Sandhel, A., Wood, T., Loh, J., Jia, J., Perovic, D., Singh, C. V., Kherani, N., Mims, C., Ozin, G. (2018), Enhanced photothermal reduction of gaseous CO2 over silicon photonic crystal supported ruthenium at ambient temperature, Energy and Environmental Science, 11, 3443-3451. [PDF]
DOI: 10.1039/C8EE02347F

[J77] K. Huang, W.S. Huxter, C.V. Singh, and J. Nogami (2019), Identification of tetramers in the silver film grown on Si(001) surface at room temperature, Journal of Physical Chemistry Letters, 9 (21), 6275–6279. [PDF]
DOI: 10.1021/acs.jpclett.8b02746

[J76] S. Mukherjee, L. Kavalsky, K. Chattopadhyay, and C.V. Singh (2018), Adsorption and diffusion of lithium polysulfides over blue phosphorene for Li-S batteries, Nanoscale, 10, 21335-21352. [PDF]
DOI: 10.1039/C8NR04868A

[J75] S. Yadav, and C.V. Singh (2018), First principles investigation of HCl, H2 and chlorosilane adsorption on Cu3Si surfaces, Journal of Physical Chemistry C, 122 (35), 20252-20260. [PDF]
DOI: 10.1021/acs.jpcc.8b04460

[J74] T. Berton, S. Haldar, J. Montesano, and C. V. Singh (2018), Time-dependent damage analysis for viscoelastic-viscoplastic structural laminates under biaxial loading, Composite Structures, 203, 60-70. [PDF]
DOI: 10.1016/j.compstruct.2018.06.117

[J73] S. Haldar, S. Mukherjee, and C. V. Singh (2018), Hydrogen storage in Li, Na, Ca decorated and defective Borophene: A first principles study, RSC Advances, 8, 20748-20757. [PDF]
DOI: 10.1039/C7RA12512G

[J72] T. Cui, S. Mukherjee, C. Cao, S. Parambath, P.M. Ajayan, C. V. Singh, Y. Sun, and T. Filleter (2018), Effect of lattice stacking orientation and local thickness variation on the mechanical behavior of few layer graphene oxide, Carbon, 136, 168-175. [PDF]
DOI: 10.1016/j.carbon.2018.04.074

[J71] M. Makaremi, S. Grixti, K. Butler, G.A. Ozin, and C.V. Singh (2018), Band engineering of carbon nitride monolayers by n-type, p-type, and isoelectronic doping for photocatalytic applications, ACS Applied Materials & Interfaces, 10 (13), 11143-11151. [PDF]
DOI: 10.1021/acsami.8b01729

[J70] Y. Dong, K.K. Ghuman, R. Popescu, P.N. Duchesne, W. Zhou, J.Y.Y. Loh, A.A. Jelle, J. Jia, D. Wang, X. Mu, C. Kubel, L. Wang, L. He, M. Ghoussoub, Q. Wang, T.E. Wood, L.M. Reyes, P. Zhang, N.P. Kherani, C.V. Singh, and G.A. Ozin (2018), Tailoring surface FLPs of In2O3-x(OH)y for gas phase heterogeneous CO2 hydrogenation by isomorphous substitution of In3+ with Bi3+, Advanced Science, 5(6), 1700732. [PDF]
DOI: 10.1002/advs.201700732

[J69] M. Somireddy, A. Czekanski, and C. V. Singh (2018), Development of constitutive material model of 3D printed structure via FDM, Materials Today Communications, 15, 143-152. [PDF]
DOI: 10.1016/j.mtcomm.2018.03.004

[J68] S. Mukherjee, L. Kavalsky, and C.V. Singh (2018), Ultrahigh storage and fast diffusion of Na and K in blue phosphorene anodes, ACS Applied Materials & Interfaces, 10 (10), 8630-8639. [PDF]
DOI: 10.1021/acsami.7b18595

[J67] C. Cao, S. Mukherjee, J.Y. Howe, D.D. Perovic, X.A. Sun, C.V. Singh, Y. Sun, and T. Filleter (2018), Nonlinear fracture toughness measurement and crack propagation resistance of functionalized graphene multilayers, Science Advances, 4(4), eaao7202. [PDF]
DOI: 10.1126/sciadv.aao7202

[J66] M. Makaremi, B. Mortazavi, and C.V. Singh (2018), 2D hydrogenated graphene-like borophene as a high capacity anode material for improved Li/Na ion batteries: A first principles study, Materials Today Energy, 8, 22-28. [PDF]
DOI: 10.1016/j.mtener.2018.02.003

[J65] S. Mukherjee, A. Banwait, S. Grixti, N. Koratkar, and C.V. Singh (2018), Adsorption and diffusion of lithium and sodium on defective rhenium disulfide: A first principles study, ACS Applied Materials & Interfaces, 10(6), 5373–5384. [PDF]
DOI: 10.1021/acsami.7b13604

[J64] B. Mortazavi, M. Makaremi, M. Shahrokhi, M. Raeisi, C.V. Singh, T. Rabczuk, and L.F.C. Pereira (2018), Borophene hydride: a stiff 2D material with high thermal conductivity and attractive optical and electronic properties, Nanoscale, 10, 3759. [PDF]
DOI: 10.1039/C7NR08725J

[J63] S. Grixti, S. Mukherjee, and C.V. Singh (2018), Two-dimensional boron as an impressive lithium-sulphur battery cathode material, Energy Storage Materials, 13, 80-87. [PDF]
DOI: 10.1016/j.ensm.2017.12.024

[J62] M. Makaremi, B. Mortazavi, and C.V. Singh (2018), Carbon ene-yne graphyne monolayer as an outstanding anode material for Li/Na ion batteries, Applied Materials Today, 10, 115-121. [PDF]
DOI: 10.1016/j.apmt.2017.12.008

[J61] A.A. Jelle, K.K. Ghuman, P.G. O'Brien, M. Hmadeh, A. Sandhel, D.D. Perovic, C.V. Singh, C.A. Mims, G.A. Ozin (2018), Highly efficient ambient temperature CO2 photomethanation catalyzed by nanostructured RuO2 on a silicon photonic crystal support, Advanced Energy Materials, 8 (9), 1702277. [PDF]
DOI: 10.1002/aenm.201702277

[J60] Y. Zuo, J. Montesano, and C.V. Singh (2018), Assessing progressive failure in long wind turbine blades under quasi-static and cyclic loads, Renewable Energy, 119, 754-766. [PDF]
DOI: 10.1016/j.renene.2017.10.103

[J59] J. Montesano, B. McCleave, and C.V. Singh (2018), Prediction of ply crack evolution and stiffness degradation in multidirectional symmetric laminates under multiaxial stress states, Composites B, 133, 53-67. [PDF]
DOI: 10.1016/j.compositesb.2017.09.016

2017

[J58] K. Li, R. Khanna, J. Zhang, M. Bouhadja, M. Sun, M. Barati, Z. Liu, T. Yang, and C.V. Singh (2017), Molecular dynamics investigation on coke ash behavior in the high-temperature zones of a blast furnace: Influence of alkalis, Energy & Fuels, 31(12), 13466-13474. [PDF]
DOI: 10.1021/acs.energyfuels.7b02795E

[J57] T. Gao, S. Mukherjee, I. Srivastava, M. Daly, and C.V. Singh (2017), Atomistic Origins of Ductility Enhancement in Metal Oxide Coated Silicon Nanowires for Li-ion Battery Anodes, Advanced Materials Interfaces, published online. [PDF]
DOI: 10.1002/admi.201700920

[J56] C. Cao, Mukherjee, S., J. Liu, B. Wang, M. Amirmaleki, J. Y. Howe, D. Perovic, X. A. Sun, C.V. Singh, Y. Sun, T. Filleter (2017), Role of graphene in enhancing the mechanical properties of TiO2/graphene hetero-structures, Nanoscale, 9, 11678-11684. [PDF]
DOI: 10.1039/C7NR03049E

[J55] M. Makaremi, B. Mortazavi, and C.V. Singh (2017), Adsorption of Metallic, Metalloidic, and Nonmetallic Adatoms on Two-Dimensional C3N, J. Phys. Chem. C, 121(34), 18575-18583. [PDF]
DOI: 10.1021/acs.jpcc.7b04511

[J54] Jia, J., Wang, H., Lu, Z., Obrien, P., 7 others, C.V. Singh, and Ozin, G.A. (2017), Photothermal catalyst engineering: hydrogenation of gaseous CO2 with high activity and tailored selectivity, Advanced Science, accepted. [PDF]
DOI: 10.1002/advs.201700252

[J53] S. Haldar, S. Mukherjee, F. Ahmed, and C.V. Singh (2017), A first principles study of hydrogen storage in lithium decorated defective phosphorene, International Journal of Hydrogen Energy, 42(36), 23018-23027. [PDF]
DOI: 10.1016/j.ijhydene.2017.07.143

[J52] S. Salunkhe, C.V. Singh, and P. J. Guruprasad (2017), Effects of matrix cracks and delamination on thin pre-twisted composite strip, Composite Structures, 180, 234-250. [PDF]
DOI: 10.1016/j.compstruct.2017.07.072

[J51] S. Yadav, K. Chattopadhyay, and C.V. Singh (2017), Solar grade silicon production: A review of kinetic, thermodynamic and fluid dynamics based continuum scale modeling, Renewable and Sustainable Energy Reviews, 78, 1288-1314. [PDF]
DOI: 10.1016/j.rser.2017.05.019

[J50] W. Tu, M. Ghoussoub, C.V. Singh, Y.H. Chin (2017), Consequences of surface oxophilicity of ni, ni-co, and co clusters on methane activation, Journal of the American Chemical Society (JACS). [PDF]
DOI: 10.1021/jacs.7b01632

[J49] Z. Shi and C.V. Singh (2017), Ideal strength of two-dimensional stanene may reach or exceed Griffith strength estimate, Nanoscale, 9, 7055-7062 (featured as back inside cover). [PDF]
DOI: 10.1039/C7NR00010C

[J48] Fath, L., M. Hochbruck, and C.V. Singh (2017), A fast mollified impulse method for biomolecular atomistic simulations, Journal of Computational Physics, 333, 180-198. [PDF]
DOI: 10.1016/j.jcp.2016.12.024

[J47] K. Cole, D. W. Kirk, C.V. Singh, and S. J. Thorpe (2017), Optimizing electrochemical micromachining parameters for Zr-based bulk metallic glass, Journal of Manufacturing Processes, 25, 227-234. [PDF]
DOI: 10.1016/j.jmapro.2016.11.015

2016

[J46] L. B. Hoch, P. Szymanski, K. K. Ghuman, L. He, K. Liao, Q., Q., Y. Zhu, M.A. El-Sayed, C.V. Singh, and G. A. Ozin (2016), Charge carrier dynamics and the role of surface defects: Designing a photocatalyst for gas-phase CO2 reduction, Proceedings of National Academy of Sciences (PNAS), 113 (50), E8011-E8020.. [PDF]
DOI: 10.1073/pnas.1609374113

[J45] Li, L, Chen, L, Mukherjee, S, Gao, J, Sun, H, Liu, Z, Ma, X, C.V. Singh, Ren, W, Cheng, HM, and Koratkar, N (2016), Phosphorene as a polysulfide immobilizer and catalyst in high-performance lithium-sulfur batteries Advanced Materials, 29 (2), 1602734. [PDF]
DOI: 10.1002/adma.201602734

[J44] K. K. Ghuman and C.V. Singh (2016), Self-trapped charge carriers in defected amorphous TiO2, Journal of Physical Chemistry C, 120, 49, 27910–27916.
DOI: 10.1021/acs.jpcc.6b07326

[J43] K. Li, R. Khanna, M. Bouhadja, J. Zhang, Z. Liu, B. Sue, T. Yang, V. Sahajwalla, C.V. Singh, and M. Barati (2016), A molecular dynamic simulation on the factors influencing the fluidity of molten coke ash during alkalization with K2O and Na2O, Chemical Engineering Journal, 313, 1184-1193.
DOI: 10.1016/j.cej.2016.11.011

[J42] Ghoussoub, M, Ghuman, KK, Hoch, L, Ozin, GA, and C.V. Singh (2016), Metadynamics-biased ab initio molecular dynamics study of heterogeneous CO2 reduction via surface frustrated Lewis pairs, ACS Catalysis, 6, 7109–7117. [PDF]
DOI: 10.1021/acscatal.6b01545

[BC6] C.V. Singh (2017), Micromechanics of damage evolution in laminates, Chapter 995, In: Peter Beaumont and Carl Zweben (Eds.), Comprehensive Composite Materials II, Volume 2, Chapter 2.7, pp. 118-147.

[J41] Sun, H, Mukherjee, S, Krishnan, A, Manohar, KH, Daly, MA, and C.V. Singh (2016), New insights into structure-nonlinear mechanical property relations for graphene allotropes, Carbon. [PDF]
DOI: 10.1016/j.carbon.2016.09.018

[J40] Sun, H, Mukherjee, S, and C.V. Singh (2016), Mechanical properties of monolayer penta-graphene and phagraphene: a first-principles study, Physical Chem Chem Phys. [PDF]
DOI: 10.1039/C6CP04595B

[J39] Ghuman, KK, Hoch, L, C.V. Singh, and Ozin, GA (2016), Surface analogs of molecular frustrated Lewis pairs in heterogeneous CO2 hydrogenation catalysis, ACS Catalysis, 6, 5764-5770. [PDF]
DOI: 10.1021/acscatal.6b01015

[J38] Sun, W, Qian, C, He, L, Ghuman, KK, Wong, APY, Jia, J, O’Brian, PG, Reyes, LM, Wood, TE, Helmu, AS, Mims, CA, C.V. Singh, and Ozin, GA (2016), Heterogeneous reduction of CO2 by hydride-terminated silicon nanocrystals, Nature Communications, 7, 12553. [PDF]
DOI: 10.1038/ncomms12553

[J37] Gao, J, Li, L, Tan, J, Sun, H, Li, B, Idrobo, JC, C.V. Singh, Lu, TM, and Koratkar, N (2016), Vertically oriented arrays of ReS2 nanosheets for electrochemical energy storage and electro-catalysis, Nano Letters, 16, 3780–3787. [PDF]
DOI: 10.1021/acs.nanolett.6b01180

[J36] Cole, K, Kirk, DW, C.V. Singh, and Thorpe, SJ (2016), Role of niobium and oxygen concentration on glass forming ability and crystallization behavior for Zr-Ni-Al-Cu-Nb bulk metallic glasses with low Cu concentration, Journal of Non-Crystalline Solids, 445-446, 88-94. [PDF]
DOI: 10.1016/j.jnoncrysol.2016.05.015

[J35] Saroukhani, S, Nguyen, LD, Leung, K, C.V. Singh, and Warner, DH (2016), Harnessing atomistic simulations to predict the rate at which dislocations overcome precipitates, Journal of the Mechanics and Physics of Solids, 90, 203–214. [PDF]
DOI: 10.1016/j.jmps.2016.02.016

[J34] Daly, MA, Cao, C, Sun, H, Sun, Y, Filleter, T, and C.V. Singh (2016), Interfacial Shear Strength of Multilayer Graphene Oxide Films, ACS Nano, 10,1939-1947. [PDF]
DOI: 10.1021/acsnano.5b05771

[J33] Ghuman, KK, Hoch, L, Szymanski, P, El-Sayed, M, Loh, J, Kherani, N, Ozin, GA, and C.V. Singh (2016), Photoexcited Surface Frustrated Lewis Pairs for Heterogeneous Photocatalytic CO2 Reduction, the Journal of the American Chemical Society (JACS), 138, 1206-1214. [PDF]
DOI: 10.1021/jacs.5b10179

[J32] Montesano, J, Chu, H, and C.V. Singh (2016), Development of a physics-based multi-scale progressive damage model for assessing the durability of wind turbine blades, Composite Structures, 141, 50-62. [PDF]
DOI: 10.1016/j.compstruct.2016.01.011

[J31] Montesano, J and C.V. Singh (2016), Critical stiffness damage envelopes for multidirectional laminated structures under multiaxial loading conditions, Materials & Design, 91, 218-229. [PDF]
DOI: 10.1016/j.matdes.2015.11.110

[J30] Shi, Z and C.V. Singh (2016), Competing twinning mechanisms in BCC metallic nanowires, Scripta Materialia, 113, 214-217. [PDF]
DOI: 10.1016/j.scriptamat.2015.11.006

[BC5] C.V. Singh (2016), Multiscale predictions of age hardening curves in Al-Cu alloys, Chapter 3, In: Siegfried Schmauder (Ed), Multiscale Materials Modeling: Approaches to Full Multiscaling, ISBN: 9783110412369, De Gruyter, Germany, pp. 37-72. Based on [J5, J6, J10].

2015

[J29] Cao, C, Daly, MA, Chen, B, C.V. Singh, Filleter, T, Sun, Y (2015), Strengthening in graphene oxide nanosheets: Bridging the gap between interplanar and intraplanar fracture, Nano Letters, 15 (10), 6528-6534. [PDF]
DOI: 10.1021/acs.nanolett.5b02173

[J28] Li, L, Wu, Z, Sun, H, Chen, D, Gao, J, Suresh, S, C.V. Singh, and Koratkar, N (2015), A foldable lithium-sulfur battery, ACS Nano, 9(11), 11342-11350. [PDF]
DOI: 10.1021/acsnano.5b05068

[J27] Sedighi, S, Kirk, DW, C.V. Singh, and Thorpe, SJ (2015), Investigating the atomic level influencing factors of glass forming ability in NiAl and CuZr metallic glasses, J Chem Phys, 143, 114509. [PDF]
DOI: 10.1063/1.4931112

[J26] Berton, T, Montesano, J, and C.V. Singh (2015), Evolution of ply-cracking and stiffness changes in multi-directional composite laminates under creep, Int J Damage Mech, 17, 14623-14635. [PDF]
DOI: 10.1177/1056789515605569

[J25] Igel, J, Kirk, DW, C.V. Singh, and Thorpe, SJ (2015), A practical investigation of the production of Zr-Cu-Al-Ni bulk metallic glasses by arc melting and suction casting, Materials Trans, 56:11, 1834-1841. [PDF]
DOI: 10.2320/matertrans.M2015235

[J24] Daly, MA, McCrea, JL, Bouwhuis, BA, C.V. Singh, and Hibbard, GD (2015), Deformation behavior of a NiCo multilayer with a modulated grain size distribution, Mater Sci Eng A, 641, 305–314. [PDF]
DOI: 10.1016/j.msea.2015.06.049

[J23] Ghuman, KK, Wood, T, Hoch, L, Mims, CA, Ozin, GA, and C.V. Singh (2015), Illuminating CO2 reduction: Investigating the role of surface hydroxides and oxygen vacancies on nanocrystalline In₂O_3-x(OH)_y, Phys Chem Chem Phys, 17, 14623-14635. [PDF]
DOI: 10.1039/c5cp02613j

[BC4] C.V. Singh (2015), Evolution of multiple matrix cracking, Chapter 8, In: Talreja, R and Varna, J (Eds), Modeling Damage, Fatigue and Failure in Composite Materials, ISBN: 9781782422860, Woodhead Publishing (Elsevier), pp. 143-171. Based on [J4, J8, J20, B1].

[BC3] C.V. Singh (2015), A multi-scale synergistic damage mechanics approach for modelling progressive failure in composite laminates, Chapter 4, In: Beaumont, PWR, Soutis, C, and Hodzic, A (Eds), Structural Integrity and Durability of Advanced Composites: Innovative Modelling Methods and Intelligent Design, ISBN: 9780081001370, Woodhead Publishing (Elsevier), pp. 73-101. Based on [J1-J3, J8, J11, J19, B1].

[BC2] C.V. Singh and R. Talreja (2015), A multiscale approach to modeling of composite damage, Chapter 13, In: Talreja, R and Varna, J (Eds), Modelling Damage, Fatigue and Failure in Composite Materials, ISBN: 9781782422860, Woodhead Publishing (Elsevier), pp. 329-345. Based on [J1-J4, J8, J11, J19, B1, BC1].

[J22] Yadav, S, Tam, J, and C.V. Singh (2015), A first principles study of hydrogen storage on lithium decorated two dimensional carbon allotropes, Int J Hydrogen Energy, 40, 6128-6136. [PDF]
DOI: 10.1016/j.ijhydene.2015.03.038

[J21] Ghuman, KK, Yadav, S, and C.V. Singh (2015), Adsorption and dissociation of H2O on monolayered MoS2 edges: energetics and mechanism from ab-initio simulations, J Phys Chem C, 119, 6518-6529. [PDF]
DOI: 10.1021/jp510899m

[J20] Montesano, J and C.V. Singh (2015), Predicting evolution of ply cracks in composite laminates subjected to biaxial loading, Composites Part B, 75, 264-273. [PDF]
DOI: 10.1016/j.compositesb.2015.01.039

[J19] Montesano, J and C.V. Singh (2015), A synergistic damage mechanics based multiscale model for composite laminates subjected to multiaxial strains, Mechanics of Materials, 83, 72-89. [PDF]
DOI: 10.1016/j.mechmat.2015.01.005

[J18] Cao, C, Daly, M, C.V. Singh, Sun, Y, Filleter, T (2015), High strength measurement of monolayer graphene oxide, Carbon, 81, 497-504. [PDF]
DOI: 10.1016/j.carbon.2014.09.082

[J17] Bele, E, C.V. Singh, Hibbard, GD (2015), Failure mechanisms in thin-walled nanocrystalline cylinders under uniaxial compression, Acta Materialia, 86, 157-168. [PDF]
DOI: 10.1016/j.actamat.2014.11.041.

[J16] Daly, M, Reeve, M, and C.V. Singh (2015), Effects of topological point reconstructions on the fracture strengthand deformation mechanisms of graphene, Computational Materials Science, 97, 172-180. [PDF]
DOI: 10.1016/j.commatsci.2014.10.034.

[CP6] Montesano, J, and C.V. Singh (2015), Stiffness critical damage envelopes for multidirectional composite laminates under multiaxial loading conditions, In: Proceedings of the 20th International Conference on Composite Materials, Copenhagen, Denmark.

2012 - 2014

[B1] Talreja, R. and Singh, C.V. (2012), Damage and Failure of Composite Materials, Cambridge University Press , London, ISBN:9780521819428.

[J15] Daly, M and C.V. Singh (2014), A kinematic study of crack formation energy barriers in graphene tilt boundaries, J Applied Phys, 115, 223513. [PDF]
DOI: 10.1063/1.4883190

[J14] Yadav, S, Zhu, Z, and C.V. Singh (2014), Defect engineering of graphene for effective hydrogen storage, Int J Hydrogen Energy, 39(10), 4981-4995. [PDF]
DOI: 10.1016/j.ijhydene.2014.01.051

[J13] Wong, J, Yadav, S, Tam, J, and C.V. Singh (2014), A van der Waals density functional theory comparison of metal decorated graphene systems for hydrogen adsorption, J Applied Phys, 115, 224301. [PDF]
DOI: 10.1063/1.4882197

[CP5] Berton, TJ, and C.V. Singh (2014), Atomistic investigation of crack-tip plasticity mechanisms in precipitation hardened alloys, In: CSME International Congress, University of Toronto, Canada.

[CP4] Montesano, J, and C.V. Singh (2014), Progressive failure analysis of polymer composites using a synergistic damage mechanics methodology, In: Advanced Composites for Aerospace, Marine, and Land Applications, Editors: T Sano, TS Srivatsan and M W Paretti, 143rd TMS Annual Meeting, San Diego, USA, 2014. DOI: 10.1002/9781118888414.ch13

[J12] Ghuman, KK, and C.V. Singh (2013), Effect of doping on electronic structure and photocatalytic behavior of amorphous TiO₂, J Physics: Condensed Matter, 25(47), 475501. [PDF]
DOI: 10.1088/0953-8984/25/47/475501

[J11] C.V. Singh (2013), A higher order synergistic damage model for prediction of stiffness changes due to ply cracking in composite laminates, CMC: Computers Materials & Continua, 34(3), 227-249. [PDF]
DOI: 10.3970/cmc.2013.034.227

[J10] C.V. Singh and Warner, DH (2013), Atomistic-based multiscale predictions of age hardening in an Al-Cu alloy, Metall Mater Trans A, 44(6), 2625-2644. [PDF]
DOI: 10.1007/s11661-013-1614-1

[J9] C.V. Singh and Talreja, R (2013), A synergistic damage mechanics characterization of damage in composite materials, J Compos Mater, 47(20-21), 2475-2501. [PDF]
DOI: 10.1177/0021998312466121

[J8] Kaur, K and C.V. Singh (2013), A DFT+ U study of Rh, Nb codoped rutile TiO₂, J Phys: Cond Matter, 25, 085501. [PDF]
DOI: 10.1088/0953-8984/25/8/085501

[CP3] C.V. Singh (2013), Synergistic damage mechanics modeling of failure in multidirectional composite laminates, In: Proceedings of the 19th International Conference on Composite Materials, Montreal, Canada, 2013.

[J7] Kaur, K and C.V. Singh (2012), Amorphous TiO₂ as a photocatalyst for hydrogen production: a DFT study of structural and electronic properties, Energy Procedia, 29, 291-299. [PDF]
DOI: 10.1016/j.egypro.2012.09.035

2011 and Before

[BC1] R. Talreja and C.V. Singh (2008), Multiscale Modeling for Damage Analysis, In: Kwon YW, Allen D, Talreja R (Eds), Multiscale Modeling and Simulation of Composite Materials and Structures, pp. 529-578.

[J6] C.V. Singh, Mateos, AJ and Warner, DH (2011), Atomistic simulations of dislocation-precipitate interactions emphasize importance of cross-slip, Scripta Mater, 64(5), 398-401. [PDF]
DOI: 10.1016/j.scriptamat.2010.10.041

[J5] C.V. Singh and Warner, DH (2010), Mechanisms of Guinier-Preston zone hardening in the athermal limit, Acta Mater, 58(17), 5797-5805. [PDF]
DOI: 10.1016/j.actamat.2010.06.055

[J4] C.V. Singh and Talreja, R (2010), Evolution of ply cracks in multidirectional composite laminates, Int J Solids Str, 47(10), 1338-1349. [PDF]
DOI: 10.1016/j.ijsolstr.2010.01.016

[J3] C.V. Singh and Talreja, R (2009), A synergistic damage mechanics approach for composite laminates with matrix cracks in multiple orientations, Mech Mater, 41, 954-968. [PDF]
DOI: 10.1016/j.mechmat.2009.02.008

[J2] Li, S, C.V. Singh and Talreja, R (2009), A representative volume element based on translational symmetries for FE analysis of cracked laminates with two arrays of cracks, Int J Solids Str, 46, 1793-1804. [PDF]
DOI: 10.1016/j.ijsolstr.2009.01.009

[J1] C.V. Singh and Talreja, R (2008), Analysis of multiple off-axis ply cracks in composite laminates, Int J Solids Str, 45(16), 4574-4589. [PDF]
DOI: 10.1016/j.ijsolstr.2008.04.004

[CP2] Damage mechanics of composite laminates with transverse matrix cracks in multiple orientations, In: 48th AIAA SDM Conference, Honolulu, USA April 23-26, 2007. DOI: 10.2514/6.2007-2283

[CP1] Life cycle engineering and sustainability of composite materials, In: Int. Conf. on Trends in Product Life cycle Modeling Simulation and Synthesis (PLMSS), Bangalore, India, Dec, 2006.