Publications

Found 161 results
Filters: Author is Jeffrey C. Grossman  [Clear All Filters]
2010
Y. Kanai, Khalap, V. R., Collins, P. G., and Grossman, J. C., Atomistic Oxidation Mechanism of a Carbon Nanotube in Nitric Acid, Physical Review Letters, vol. 104, no. 6, 2010.
Y. Kanai, Wu, Z., and Grossman, J. C., Charge separation in nanoscale photovoltaic materials: recent insights from first-principles electronic structure theory, Journal of Materials Chemistry, vol. 20, no. 6, pp. 1053 - 1061, 2010.
J. - H. Lee, Wu, J., and Grossman, J. C., Enhancing the Thermoelectric Power Factor with Highly Mismatched Isoelectronic Doping, Physical Review Letters, vol. 104, no. 1, 2010.
C. K. Joyce, Jennings, K. E., Hey, J., Grossman, J. C., and Kalil, T., Getting Down to Business: Using Speedstorming to Initiate Creative Cross-Disciplinary Collaboration, Creativity and Innovation Management, vol. 19, no. 1, pp. 57 - 67, 2010.
J. - H. Lee and Grossman, J. C., Magnetic properties in graphene-graphane superlattices, Applied Physics Letters, vol. 97, no. 13, 2010.
Y. Kanai, Srinivasan, V., Meier, S. K., K. Vollhardt, P. C., and Grossman, J. C., Mechanism of Thermal Reversal of the (Fulvalene)tetracarbonyldiruthenium Photoisomerization: Toward Molecular Solar-Thermal Energy Storage, Angewandte Chemie-International Edition, vol. 49, no. 47, pp. 8926 - 8929, 2010.
L. K. Wagner and Grossman, J. C., Quantum Monte Carlo Calculations for Minimum Energy Structures, Physical Review Letters, vol. 104, no. 21, 2010.
M. Bernardi, Giulianini, M., and Grossman, J. C., Self-Assembly and Its Impact on Interfacial Charge Transfer in Carbon Nanotube/P3HT Solar Cells, Acs Nano, vol. 4, no. 11, pp. 6599 - 6606, 2010.
Y. Kanai, Neaton, J. B., and Grossman, J. C., Theory and Simulation of Nanostructured Materials for Photovoltaic Applications, Computing in Science & Engineering, vol. 12, no. 2, pp. 18 - 27, 2010.
B. Myers, Bernardi, M., and Grossman, J. C., Three-dimensional photovoltaics, Applied Physics Letters, vol. 96, no. 7, 2010.
2009
A. P. Greaney, Lani, G., Cicero, G., and Grossman, J. C., Anomalous Dissipation in Single-Walled Carbon Nanotube Resonators, Nano Letters, vol. 9, no. 11, pp. 3699 - 3703, 2009.
Z. Wu, Neaton, J. B., and Grossman, J. C., Charge Separation via Strain in Silicon Nanowires, Nano Letters, vol. 9, no. 6, pp. 2418 - 2422, 2009.
R. K. Bhakta, Herberg, J. L., Behrens, R., Wu, Z., Grossman, J. C., and Allendorf, M. D., Experimental and computational investigation of MOF-templated metal hydride nanoparticles, Abstracts of Papers of the American Chemical Society, vol. 238, 2009.
G. E. Begtrup, Gannett, W., Meyer, J. C., Yuzvinsky, T. D., Ertekin, E., Grossman, J. C., and Zettl, A., Facets of nanotube synthesis: High-resolution transmission electron microscopy study and density functional theory calculations, Physical Review B, vol. 79, no. 20, 2009.
Y. Kanai, Wu, Z., and Grossman, J. C., PHYS 418-Many-body corrections to density functional theory level alignment at organic-inorganic hybrid interfaces using quantum Monte Carlo calculations, Abstracts of Papers of the American Chemical Society, vol. 237, 2009.
Z. Wu, Kanai, Y., and Grossman, J. C., Quantum Monte Carlo calculations of the energy-level alignment at hybrid interfaces: Role of many-body effects, Physical Review B, vol. 79, no. 20, 2009.
Z. Wu, Allendorf, M. D., and Grossman, J. C., Quantum Monte Carlo Simulation of Nanoscale MgH2 Cluster Thermodynamics, Journal of the American Chemical Society, vol. 131, no. 39, p. 13918 - +, 2009.
Y. Kanai and Grossman, J. C., Role of exchange in density-functional theory for weakly interacting systems: Quantum Monte Carlo analysis of electron density and interaction energy, Physical Review A, vol. 80, no. 3, 2009.
J. Cao, Ertekin, E., Srinivasan, V., Fan, W., Huang, S., Zheng, H., Yim, J. W. L., Khanal, D. R., Ogletree, D. F., Grossman, J. C., and Wu, J., Strain engineering and one-dimensional organization of metal-insulator domains in single-crystal vanadium dioxide beams, Nature Nanotechnology, vol. 4, no. 11, pp. 732 - 737, 2009.
W. Fan, Huang, S., Cao, J., Ertekin, E., Barrett, C., Khanal, D. R., Grossman, J. C., and Wu, J., Superelastic metal-insulator phase transition in single-crystal VO2 nanobeams, Physical Review B, vol. 80, no. 24, 2009.

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