Sophia_NJP_2014

Phonon Diodes and Transistors from Magneto-Acoustics

Sophia R. Sklan and Jeffrey C. Grossman

New Journal of Physics, 16, 053029 (2014)

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Donghun_ACSNano_2014

Energy Level Modification in Lead Sulfide Quantum Dot Thin Films Through Ligand Exchange

Patrick R. Brown,* Donghun Kim,* Richard R. Lunt, Ni Zhao, Moungi G. Bawendi, Jeffrey C. Grossman and Vladimir Bulovic

ACS Nano, DOI: 10.1021/nn500897c (2014)

*Equal contribution

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Jeff_CHE_2014

Regrouping the Group Meeting

Jeffrey C. Grossman

The Chronicle of Higher Education (2014)

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Tim_NCHEM_2014

Templated Assembly of Photoswitches Significantly Increases the Energy-Storage Capacity of Solar Thermal Fuels

Timothy J. Kucharski, Nicola Ferralis, Alexie M. Kolpak, Jennie O. Zheng, Daniel G. Nocera and Jeffrey C. Grossman

Nature Chemistry, DOI:10.1038/nchem.1918 (2014)

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Tim_Eric_PRB_2014

Origins of Hole traps in Hydrogenated Nanocrystalline and Amorphous Silicon Revealed through Machine Learning

Tim Mueller, Eric Johlin and Jeffrey C. Grossman

Phys. Rev. B, 89, 115202 (2014)

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David_EES_2014

Quantifying the Potential of Ultra-Permeable Membranes for Water Desalination

David Cohen-Tanugi, Ronan K. McGivern, Shreya H. Dave, John H. Leinhard and Jeffrey C. Grossman

Energy and Environmental Science, DOI: 10.1039/C3EE43221A (2014)

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Sophia_JAP_2013

Resonant Behavior in Heat Transfer across Weak Molecular Interfaces

Sophia R. Sklan,* P. Alex Greaney* and Jeffrey C. Grossman

Journal of Applied Physics, DOI: 10.1063/1.4851035 (2013)

*Equal contribution 

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Priyank_NCHEM_2013

Scalable Enhancement of Graphene Oxide Properties by Thermally Driven Phase Separation

Priyank V. Kumar,* Neelkanth M. Bardhan,* Sefaattin Tongay, Junqiao Wu, Angela M. Belcher and Jeffrey C. Grossman

Nature Chemistry, DOI: 10.1038/nchem.1820 (2013)

*Equal contribution 

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Marco_JPCC_2013

Optimal Sunlight Harvesting in Photovoltaics and Photosynthesis

Marco Bernardi and Jeffrey C. Grossman

Journal of Physical Chemistry C, DOI: 10.1021/jp4090348 (2013) 

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Shames_Zhang_IVJD_2013

Rapid Windshield De-Icing using Solar Thermal Fuels

Samuel W. L. Shames, Clare M. Zhang, Nicola Ferralis and Jeffrey C. Grossman

International Journal of Energy Efficient Vehicle Designs, 15, 1114-1119 (2013) 

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Elif_JAP_2013

Extended X-ray Absorption Fine Structure Spectroscopy of Selenium-Hyperdoped Silicon

Bonna K. Newman, Elif Ertekin, Joseph T. Sullivan, Mark T. Winkler, Matthew A. Marcus, Sirine C. Fakra, Meng-Ju Sher, Eric Mazur, Jeffrey C. Grossman and Tonio Buonassisi

Journal of Applied Physics, 114, 133507 (2013) 

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Can_Rajamani_SciRep_2013

Defects Activated Photoluminescence in Two-Dimensional Semiconductors: Interplay Between Bound, Charged and Free Excitons

Sefaattin Tongay, Joonki Suh, Can Ataca, Wen Fan, Alexander Luce, Jeong Seuk Kang, Jonathan Liu, Changhyun Ko, Rajamani Raghunathan, Jian Zhou, Frank Ogletree, Jingbo Li, Jeffrey C. Grossman and Junqiao Wu

Scientific Reports, 3, 2657, DOI: 10.1038/srep02657 (2013) 

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Extraordinary Sunlight Absorption and 1nm-Thick Photovoltaics Using Two-Dimensional Monolayer Materials

Marco Bernardi, Maurizia Palummo and Jeffrey C. Grossman

Nano Letters, DOI: 10.1021/nl401544y (2013) 

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Donghun_PRL_2013

Impact of Stoichiometry on the Electronic Structure of PbS Quantum Dots

Donghun Kim, Dong-Ho Kim, Joo-Hyoung Lee, and Jeffrey C. Grossman

Physical Review Letters, 110, 196802 (2013) 

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Elif_2013

Point-Defect Optical Transitions and Thermal Ionization Energies From Quantum Monte Carlo Methods: Application to the F-center Defect in MgO

Elif Ertekin, Lucas K. Wagner, and Jeffrey C. Grossman

Physical Review B, 87, 155210 (2013) 

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Can_2013

Broad-Range Modulation of Light Emission in Two-Dimensional Semiconductors by Molecular Physisorption Gating

Sefaattin Tongay, Jian Zhou, Can Ataca, Jonathan Liu, Jeong Seuk Kang, Tyler S. Matthews, Long You, Jingbo Li, Jeffrey C. Grossman and Junqiao Wu

NanoLetters, 13, 2831-2836 (2013) 

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Eric_PRL_2013

Origin of Structural Hole Traps in Hydrogenated Amorphous Silicon

Eric Johlin, Lucas K. Wagner, Tonio Buonassisi, and Jeffrey C. Grossman

Physical Review Letters, 110, 146805 (2013) 

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priyank_jpcc_2013

High Surface Reactivity and Water Adsorption on NiFe2O4 (111) surfaces

Priyank V. Kumar, Michael P. Short, Sidney Yip, Bilge Yildiz, and Jeffrey C. Grossman

J. Phys. Chem. C, 117, 5678-5683 (2013) 

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jz301877n

Photoswitchable Molecular Rings for Solar Thermal Energy Storage

Engin Durgun and Jeffrey C. Grossman

J. Phys. Chem. Letters, 4, 854-860 (2013) 

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nn305507p

The Impact of Functionalization on the Stability, Work Function and Photoluminescence of Reduced Graphene Oxide

Priyank V. Kumar, Marco Bernardi, and Jeffrey C. Grossman

ACS Nano, 7, 1638-1645 (2013) 

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nn305507p

Hybrid Chromophore/Template Nanostructures: A Customizable Platform Material for Solar Energy Storage and Conversion

Alexie Kolpak, and Jeffrey C. Grossman

J. Chem. Phys., 138, 034303 (2013) 

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nl302584w

Thermally Driven Cross-Over from Indirect Toward Direct Bandgap in 2D Semiconductors: MoS2 versus MoSe2

Sefaattin Tongay, Jian Zhou, Can Ataca,Kelvin Lo, Tyler S. Matthews, Jingbo Li, Jeffrey C. Grossman and Junqiao Wu

NanoLetters, 12, 5576-5580 (2012) 

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Bernardi-nn303815z

Semiconducting Monolayer Materials As a Tunable Platform for Excitonic Solar Cells

Marco Bernardi, Maurizia Palummo and Jeffrey C. Grossman

ACS Nano, 6, 10082-10089 (2012) 

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nn3031595-8

Thermal Transport in Functionalized Graphene

Jeong Yun Kim, Joo-Hyoung Lee, and Jeffrey C. Grossman

ACS Nano, 6, 9050-9057 (2012) 

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ACS Nano Nanocarbon PV-Bernardi

Nanocarbon-Based Photovoltaics

Marco Bernardi, Jessica Lohrman, Priyank V. Kumar, Alec Kirkeminde, Nicola Ferralis, Jeffrey C. Grossman, and Shenqiang Ren

ACS Nano, 6, 8896-8903 (2012) 

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nl3012853

Water Desalination Across Nanoporous Graphene

David Cohen-Tanugi, and Jeffrey C. Grossman

Nanoletters, 12, 3602-3608 (2012) 

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Graphene_BN_optoelectronics_PRL2012

Optoelectronic Properties in the Monolayers of Hybridized Graphene and Hexagonal Boron Nitride

Marco Bernardi, Maurizia Palummo, and Jeffrey C. Grossman

Physical Review Letters, 108, 226805 (2012) 

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PhysRevB.85.195460

Interplay Between Intrinsic Defects, Doping and Free-Carrier Concentration in SrTiO3 Thin Flims

Elif Ertekin, Varadharajan Srinivasan, Jayakanth Ravichandran, Pim B. Rossens, Wolter Siemons, Arun Majumdar, Ramamoorthy Ramesh, and Jeffrey C. Grossman

Phys. Rev. B, 85, 195460 (2012) 

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Priyank_JPC

First Principles Assessment of the Reactions of Boric Acid on NiO (001) and ZrO2 (-111) Surfaces

Priyank V. Kumar, Michael P. Short, Sidney Yip, Bilge Yildiz, and Jeffrey C. Grossman

J. Phys. Chem. C, 116, 10113-10119 (2012) 

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chemmat

Understanding and Controlling the Reactivity of Calcium Silicate Phases from First Principles

Engin Durgun, Hengoi Manzano, R. J. M. Pellenq, and Jeffrey C. Grossman

Chem. Mater., 24, 1262-1267 (2012) 

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JCE2012

Mesoscale Modeling of Phononic Thermal Conductivity of Porous Si: Interplay Between Porosity, Morphology, and Interface Roughness

Giuseppe Romano, Aldo Di Carlo, and Jeffrey C. Grossman

journal of Computational Electronics, 11, 8-13 (2012) 

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PhysRevB.85.075202

Structural Origins of Intrinsic Stress in Amorphous Si Thin Films

Eric Johlin, Nouar Tabet, Sebastian Castro-Galnarez, Amir Abdallah, Mariana I. Bertoni, Tesleem Asafa, Jeffrey C. Grossman, Syed Said, and Tonio Buonassisi

Phys. Rev. B., 108, 075202 (2012) 

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PhysRevLett.108.026401

Insulator-to-Metal Transition in Selenium-Hyperdoped Silicon: Observation and Origin

Elif Ertekin, Mark T. Winkler, Daniel Recht, Aurore J. Said, Michael J. Aziz, Tonio Buonassisi, and Jeffrey C. Grossman

Phys. Rev. Lett., 108, 026401 (2012) 

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PCCP

Tuning Metal Hydride Thermodynamics via Size and Composition: Li-H, Mg-H, Al-H and Mg-Al-H Nanoclusters for Hydrogen Storage

Lucas K. Wagner, Eric H. Majzoub, Mark D. Allendorf, and Jeffrey C. Grossman

Phys. Chem. Chem. Phys., 14, 6611-6616 (2012) 

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PhysRevLett.108.026401

Solar Energy Generation in Three Dimensions

Marco Bernardi, Nicola Ferralis, Jin H. Wan, Rachelle Villalon, and Jeffrey C. Grossman

Energy and Environmental Science, 12, 6880-6884 (2012) 

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Mpemba_MetTransA2011

Mpemba-Like Behavior in Carbon Nanotube Resonators

P. Alex Greaney, Giovanna Lani, Giancarlo Cicero, and Jeffrey C. Grossman

Metallurgical and Materials Transactions A, 42, 3907-3912 (2012) 

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nl201357

Toward Efficient Carbon Nanotube/P3HT Solar Cells: Active Layer Morphology, Electrical and Optical Properties

Shenqiang Ren*, Marco Bernardi*, Richard R. Lunt, Vladimir Bulovic, Jeffrey C. Grossman, and Silvija Gradecak

Nano Letters, 11, 5316-5321 (2011)

*Equal contribution 

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PhysRevLett.108.026401

Interplay of Wetting and Elasticity in the Nucleation of Carbon Nanotubes

Dmitri Schebarchov, Schaun C. Hendy, Elif Ertekin, and Jeffrey C. Grossman

Phys. Rev. Lett., 107, 185503 (2012) 

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PhysRevB.84.113413

Energy Gap of Kronig-Penney-type Hydrogenrated Graphene Superlattices

Joo-Hyoung Lee, and Jeffrey C. Grossman

Phys. Rev. B, 84, 113413 (2012) 

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Azobenzene-Functionalized Carbon Nanotubes As High-Energy Density Solar Thermal Fuels

Alexie M. Kolpak and Jeffrey C. Grossman

Nano Letters 11, 3156-3162 (2011) 

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Impact of Chemical Impurities on the Crystalline Cement Clinker Phases Determined by Atomistic Simulations

Hegoi Manzano, Engin Durgun, Mohammed Javad Abdolhosseine Qomi, Franz-Josef Ulm, Roland. J. M. Pellenq, and Jeffrey. C. Grossman

Crystal Growth&Design 0, 0 (2011) 

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Single-Molecule-Resolved Structural Changes Induced by Temperature and Light in Surface-Bound Organometallic Molecules Designed for Energy Storage

Jongweon Cho, Luis Berbil-Bautista, Ivan V. Pechenezhskiy, Niv Levy, Steven K. Meier, Varadharajan Srinivasan, Yosuke Kanai, Jeffrey C. Grossman, K. Peter C. Vollhardt, and Michael F. Crommie

ACSNano 5, 3701 (2011) 

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Phonostat: Thermostatting phonons in molecular dynamics simulations

Rajamani Raghunathan, P. Alex Greaney, and Jeffrey C. Grossman

J. Chem. Phys. 134, 214117 (2011) 

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Thermal Transport in Nanoporous Silicon: Interplay between Disorder at Mesoscopic and Atomic Scales

Yuping He, Davide Donadio, Joo-Hyoung Lee, Jeffrey C. Grossman, and Giulia Galli

ACS Nano 5, 1839 (2011) 

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Self-Assembly and its impact on Interfacial Charge Transfer in Carbon Nanotube/P3HT Solar Cells

M. Bernardi, M. Giulianini, and J. C. Grossman

ACS Nano 4, 6599 (2010)

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Mechanism of Thermal Reversal of the (Fulvalene)tetracarbonyl-diruthenium Photoisomerization: Toward Molecular Solar–Thermal Energy Storage

Y. Kanai, V. Srinivasan, S. K. Meier, K. P. C. Vollhardt, and J. C. Grossman

Angewandte Chemie International Edition 49, 8926 (2010) 

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Magnetic Properties in Graphene-Graphane Superlattices

J. H. Lee and J. C. Grossman

Applied Physics Letters 97, 133102 (2010) 

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Quantum Monte Carlo Calculations for Minimum Energy Structures

L. K. Wagner and J. C. Grossman

Physical Review Letters 104, 210201 (2010) 

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Atomistic Oxidation Mechanism of a Carbon Nanotube in Nitric Acid

Y. Kanai, V. R. Khalap, P. G. Collins, and J. C. Grossman

Physical Review Letters 104, 66401 (2010) 

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Getting Down to Business: Using Speedstorming to Initiate Creative Cross-Disciplinary Collaboration

C. K. Joyce, K. E. Jennings, J. Hey, J. C. Grossman, and T. Kalil

Creativity and Innovation Management 19, 57 (2010) 

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Three-dimensional photovoltaics

B. Meyrs, M. Bernardi, and J. C. Grossman                              

Applied Physics Letters 96, 71902 (2010) 

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Enhancing the Thermoelectric Power Factor with Highly Mismatched Isoelectronic Doping

J.-H. Lee, J. Wu, and J. C. Grossman

Physical Review Letters 104, 16602 (2010) 

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Charge separation in nanoscale photovoltaic materials: recent insights from first-principles electronic structure theory

Y. Kanai, Z. Wu, and J. C. Grossman

Journal of Materials Chemistry 20, 1053 (2010) 

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Role of exchange in density-functional theory for weakly interacting systems: Quantum Monte Carlo analysis of electron density and interaction energy

Y. Kanai1, and J. C. Grossman

Physical Review A 80, 32504 (2009) 

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Quantum Monte Carlo Simulation of Nanoscale MgH2 Cluster Thermodynamics

Z. Wu, M. D. Allendorf, and J. C. Grossman

Journal of the American Chemical Society 131, 13918 (2009) 

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Strain engineering and one-dimensional organization of metal-insulator domains in single-crystal VO2 beams

J. Cao, E. Ertekin, V. Srinivasan, W. Fan, S. Huang, H. Zheng, J. W. L. Yim, D. R. Khanal, D. F. Ogletree, J. C. Grossman, and J. Wu

Nature Nanotechnology 4, 732 (2009) 

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Thermoelectric Properties of Nanoporous Germanium

J.-H. Lee and J. C. Grossman

Applied Physics Letters 95, 13106 (2009) 

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Quantum Monte Carlo Calculations of the Energy Level Alignment at Hybrid Interfaces: Role of Many-Body Effects

Z. Wu, Y. Kanai, and J. C. Grossman

Physical Review B 79, 201309 (2009) 

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Anomalous Dissipation in Single-Walled Carbon Nanotube Resonators

P. A. Greaney, G. Lani, G. Cicero, and J. C. Grossman

NanoLetters 9, 3699 (2009) 

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It’s Time to Blur the Lines Between Basic and Applied Research

J. C. Grossman

The Chronicle of Higher Education 55, A28 (2009) 

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Facets of nanotube synthesis: High-resolution transmission electron microscopy study and density functional theory calculations

G. E. Begtrup, W. Gannett, J.C. Meyer, T. D. Yuzvinsky, E. Ertekin, J. C. Grossman, and A. Zettl

Physical Review B 79, 205409-1 (2009) 

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Superelastic metal-insulator phase transition in single-crystal VO2 nanobeams

W. Fan, S. Huang, J. Cao, E. Ertekin, C. Barrett, D. R. Khanal, J. C. Grossman, and J. Wu

Physical Review B 80, 241105 (2009) 

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Charge Separation via Strain in Silicon Nanowires

Z. Wu, J. B. Neaton, and J. C. Grossman

NanoLetters 9, 2418 (2009) 

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Putting the discipline in interdisciplinary: using speed-dating to foster creativity

J. Hey, C. Joyce, T. Kalil, and J. C. Grossman

Journal of Nano Education 1, 75 (2009) 

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Nanomechanical Resonance Spectroscopy: A Novel Route to Label-Free Ultra-Sensitive Detection

P. A. Greaney and J. C. Grossman

NanoLetters 8, 2648 (2008) 

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Prediction of Ultra-High Aspect Ratio Nanowires from Self-Assembly

Z. Wu and J. C. Grossman

NanoLetters 8, 2697 (2008) 

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Quantum confinement and electronic properties of tapered silicon nanowires

Z. Wu, J. B. Neaton, and J. C. Grossman

Physical Review Letters 100, 246804 (2008) 

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Role of Semiconducting and Metallic Tubes in P3HT/Carbon-Nanotube Photovoltaic Heterojunctions: Density Functional Theory Calculations

Y. Kanai and J. C. Grossman

NanoLetters 8, 909 (2008) 

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Microscopic Description of Light Induced Defects in Amorphous Silicon Solar Cells

L. Wagner and J. C. Grossman

Physical Review Letters 101, 265501 (2008) 

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Adsorption-Induced Surface Stresses in Alkanethiolate-Au Self-Assembled Monolayers

V. Srinivasan, G. Cicero, and J. C. Grossman

Physical Review Letters 101, 185504 (2008) 

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Water confined in nanotubes and between graphene sheets: a frist principles study

G. Cicero, J. C. Grossman, E. Schwegler, F. Gygi, and G. Galli

Journal of the American Chemical Society 130, 1871 (2008) 

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Nanoporous Si as an Efficient Thermoelectric Material

J.-H. Lee, G. Galli, and J. C. Grossman

NanoLetters 8, 3750 (2008) 

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Insights on interfacial charge transfer across P3HT/fullerene photovoltaic heterojunction from ab initio calculations

Y. Kanai and J. C. Grossman

NanoLetters 7, 1967 (2007) 

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Nanomechanical energy transfer and resonance effects in single-walled carbon nanotubes

P. A. Greaney and J. C. Grossman

Physical Review Letters 98, 125503 (2007) 

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Lattice thermal conductivity of nano-porous Si: a molecular dynamics study

J.-H. Lee, J. C. Grossman, J. Reed, and G. Galli

Applied Physics Letters 91, 223110 (2007) 

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A Little Bit About Nanotechnology

J. C. Grossman

Society of Petroleum Engineers /N, /N (2007) 

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Single functional group interactions with individual carbon nanotubes

R. W. Friddle, M. C. LeMieux, G. Cicero, A. B. Artyukhin, V. V. Tsukruk, J. C. Grossman, G. Galli, and A. Noy

Nature Nanotechnology 2, 692 (2007) 

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Adhesion of single functional groups to individual carbon nanotubes: electronic effects probed by ab initio calculations,

G. Cicero, J. C. Grossman, and G. Galli

Physical Review B 74, 35425 (2006) 

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The electronic structure of liquid water within density-functional theory

Prendergast, J. C. Grossman, and G. Galli

The Journal of Chemical Physics 123, 014501 (2005) 

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Water and a Hydrophobic Solid Surface Probed by Ab initio Molecular Dynamics: Inhomogeneous Thin Layers of Dense Fluid

G. Cicero, J. C. Grossman, A. Catellani, and G. Galli

Journal of the American Chemical Society 127, 6830 (2005) 

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Efficient Quantum Monte Carlo Energies for Molecular Dynamics Simulations

J. C. Grossman and L. Mitas

Physical Review Letters 94, 56403 (2005) 

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Towards an assessment of the accuracy of density functional theory for first principles simulations of water II

E. Schwegler, J. C. Grossman, F. Gygi, and G. Galli

The Journal of Chemical Physics 121, 5400 (2004) 

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Quantum and Classical Molecular Dynamics Simulations of Hydrophobic Hydration Structure around Small Solutes

J. C. Grossman, E. Schwegler, and G. Galli

The Journal of Physical Chemistry B 108, 15865 (2004) 

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Optical Properties of Passivated Silicon Nanoclusters: The Role of Synthesis

E. Draeger, J.C. Grossman, A. Williamson, and G. Galli

The Journal of Chemical Physics 120, 10807 (2004) 

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Quantum Monte Carlo Study of Electronic Excitations of Free-Base Porphyrin

O. El Akramine, A. Aspuru-Guzik, J. C. Grossman, and W.A. Lester, Jr.

The Journal of Chemical Physics 120, 3049 (2004) 

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Optical Properties of Silicon Clusters in the Presence of Water: A First Principles Theoretical Analysis

Prendergast, J. C. Grossman, A. J. Williamson, J.-L. Fattebert, and G. Galli

Journal of the American Chemical Society 126, 13827 (2004) 

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Towards an assessment of the accuracy of density functional theory for first principles simulations of water

J.C. Grossman, E. Schwegler, E.W. Draeger, F. Gygi, and G. Galli

The Journal of Chemical Physics 120, 300 (2004) 

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Synthesis dynamics of passivated silicon nanoclusters

E. W. Draeger, J. C. Grossman, A. J. Williamson, and G. Galli

Physica Status Solidi  239, 11 (2003) 

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Calculation of optical absorption spectra of hydrogenated Si clusters: Bethe-Salpeter equation versus time-dependent local-density approximation

L. X. Benedict, A. Puzder, A. J. Williamson, J. C. Grossman, G. Galli, and J. E. Klepeis

Physical Review B 68, 085310-1 (2003) 

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Influence of Synthesis Conditions on the Structural and Optical Properties of Passivated Silicon Nanoclusters

E. W. Draeger, J. C. Grossman, A. J. Williamson, and G. Galli

Physical Review Letters 90, 167402-1 (2003) 

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Computational Studies of the Optical Emission of Silicon Nanocrystals

A. Puzder, A. J. Williamson, J. C. Grossman, and G. Galli

Journal of the American Chemical Society 125, 2786 (2003) 

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Simulation of Semiconductor Nanostructures

A. Puzder, A. J. Williamson, J. C. Grossman, and G. Galli

Physica Status Solidi  233, 39 (2002) 

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Large cryogenic storage of hydrogen in carbon nanotubes at low pressures

B.K. Pradhan, A.R. Harutyunyan, D. Stojkovic, J. C. Grossman, P. Zhang, M. W. Cole, V. Crespi, H. Goto, J. Fujiwara, and P. C. Eklund

Journal of Materials Research 17, 2209 (2002) 

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Aromaticity and hydrogenation patterns in highly strained fullerenes

J. C. Grossman, M. E. Colvin b, N. L. Tran, S. G. Louie, and M. L. Cohen

Chemical Physics Letters 356, 247 (2002) 

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Surface Chemistry of Silicon Nanoclusters

A. Puzder, A. J. Williamson, J. C. Grossman, and G. Galli

Physical Review Letters 88, 097401-1 (2002) 

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Quantum Monte Carlo Calculations of Nanostructure Optical Gaps: Application to Silicon Quantum Dots

A. J. Williamson, J. C. Grossman, R. Q. Hood, A. Puzder, and G. Galli

Physical Review Letters 89, 196803-1 (2002) 

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Surface control of optical properties in silicon nanoclusters

A. Puzder, A. J. Williamson, J. C. Grossman, and G. Galli

The Journal of Chemical Physics 117, 6721 (2002) 

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Benchmark quantum Monte Carlo calculations

J. C. Grossman

The Journal of Chemical Physics 117, 1434 (2001) 

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Linear-Scaling Quantum Monte Carlo Calculations

A. J. Williamson, R. Q. Hood, and J. C. Grossman

Physical Review Letters 87, 246406-1 (2001) 

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High Accuracy Many-Body Calculational Approaches for Excitations in Molecules

J. C. Grossman, M. Rohlfing, L. Mitas, S. G. Louie, and M. L. Cohen

Physical Review Letters 86, 472 (2001) 

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Silicon Clusters of Intermediate Size: Energetics,Dynamics,and Thermal Effects

L. Mitas, J. C. Grossman, Ivan Stich, and J. Tobik

Physical Review Letters 84, 1479 (2000) 

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Quantum Monte Carlo and Density Functional Theory Characterization of 2-Cyclopentenone and 3-Cyclopentenone Formation from O(3P) + Cyclopentadiene

J. C. Grossman, W. A. Lester, and S. G. Louie

Journal of the American Chemical Society 122, 705 (2000) 

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Solid C36 : Crystal structures, formation, and effects of doping

J. C. Grossman, S. G. Louie, and M. L. Cohen

Physical Review B 60, R6941 (1999) 

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Transition metals and their carbides and nitrides: Trends in electronic and structural properties

J. C. Grossman, A. Mizel, M. Côté, M. L. Cohen, and S. G. Louie

Physical Review B 60, 6343 (1999) 

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Cyclopentadiene stability: quantum Monte Carlo, coupled cluster, and density functional theory determinations

J. C. Grossman, W. A. Lester Jr., and S. G. Louie

Molecular Physics 96, 629 (1999) 

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Scanning Tunneling Spectroscopy of C36

P. G. Collins, J. C. Grossman, M. Côté, M. Ishigami, C. Piskoti, S. G. Louie, M. L. Cohen, and A. Zettl

Physical Review Letters 82, 165 (1999) 

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Electron-Phonon Interactions in Solid C36

M. Côté, J. C. Grossman, M. L. Cohen, and S. G. Louie

Physical Review Letters 81, 697 (1998) 

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Theoretical study of a three-dimensional all-sp2 structure

M. Côté, J. C. Grossman, M. L. Cohen, and S. G. Louie

Physical Review B 58, 664 (1998) 

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Electronic and Structural Properties of Molecular C36

J. C. Grossman, M. Côté, S. G. Louie, and M. L. Cohen,

Chemical Physics Letters 284, 344 (1998) 

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High Accuracy Molecular Heats of Formation and Reaction Barriers: Essential Role of Electron Correlation

J. C. Grossman, and L. Mitas

Physical Review Letters 79, 4353 (1997) 

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How Likely Is It that Two Classmates Have the Same Birthday?

S. Fantini and J. C. Grossman

The Physics Teacher 35, 42 (1997) 

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Quantum Monte Carlo Determination of Electronic and Structural Properties of Sin Clusters

J. C. Grossman, and L. Mitas

Physical Review Letters 74, 1323 (1995) 

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Family of Low-Energy Elongated Sin Clusters

J. C. Grossman, and L. Mitas

Physical Review B 52, 16735 (1995) 

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Structure and Stability of Molecular Carbon: Importance of Electron Correlation

J. C. Grossman, L. Mitas, and K. Raghavachari

Physical Review Letters 75, 3870 (1995) 

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