Recent Publications
Laser-Induced Tar-Mediated Sintering of Metals and Refractory Carbides in Air
Preserving nanoscale features in polymers during laser induced graphene formation using sequential infiltration synthesis
Toward Designing Highly Conductive Polymer Electrolytes by Machine Learning Assisted Coarse-Grained Molecular Dynamics
Double-Sided Graphene Oxide Encapsulated AgNW Transparent Electrode with Improved Chemical and Electrical Stability
2022
- Atoms to fibers: Identifying novel processing methods in the synthesis of pitch-based carbon fibers
Asmita Jana, Taishan Zhu, Yanming Wang, Jeramie J. Adams, Logan T. Kearney, Amit K. Naskar, Jeffrey C. Grossman, and Nicola Ferralis
Science Advances (2022), 8, 11 - Oxynitride-Encapsulated Silver Nanowire Transparent Electrode with Enhanced Thermal, Electrical, and Chemical Stability
Jatin J. Patil, Maya L. Reese, Eric Lee, and Jeffrey C. Grossman
ACS Applied Materials and Interfaces, 2022, 14, 3, 4423–4433
2021
- Charting lattice thermal conductivity for inorganic crystals and discovering rare earth chalcogenides for thermoelectrics
Taishan Zhu, Ran He, Sheng Gong, Tian Xie, Prashun Gorai, Kornelius Nielsch and Jeffrey C. Grossman
Energy Environ. Sci., 2021,14, 3559-3566 - Screening and Understanding Li Adsorption on Two-Dimensional Metallic Materials by Learning Physics and Physics-Simplified Learning
Sheng Gong, Shuo Wang, Taishan Zhu, Xi Chen, Zhenze Yang, Markus J. Buehler, Yang Shao-Horn, and Jeffrey C. Grossman
JACS Au 2021, XXXX, XXX, XXX-XXX - Adsorption-based membranes for air separation using transition metal oxides
Asmita Jana, David S. Bergsman and Jeffrey C. Grossman
Nanoscale Advances, 2021, 3, 4502-4512 - Silver Nanowire Back Electrode Stabilized with Graphene Oxide Encapsulation for Inverted Semitransparent Organic Solar Cells with Longer Lifetime
Thomas Sannicolo, Woo Hyun Chae, Jeremiah Mwaura, Vladimir Bulović, Jeffrey C. Grossman
ACS Applied Energy Materials, 2021, 4, 2, 1431–1441
2020
- Importance of Equilibration Method and Sampling for Ab Initio Molecular Dynamics Simulations of Solvent–Lithium-Salt Systems in Lithium-Oxygen Batteries
Emily Crabb, Arthur France-Lanord, Graham Leverick, Ryan Stephens, Yang Shao-Horn, Jeffrey C. Grossman
J. Chem. Theory Comput. 2020, 16, 12, 7255–7266 - Conductive carbonaceous membranes: recent progress and future opportunities
Jatin J. Patil, Asmita Jana, Bezawit A. Getachew, David S. Bergsmana, Zachary Gariepy, Brendan D. Smith, Zhengmao Lu and Jeffrey C. Grossman
Journal of Materials Chemistry A, 2021, 9, 3270-3289 - Transport-Based Modeling of Bubble Nucleation on Gas Evolving Electrodes
Zhengmao Lu, Lenan Zhang, Ryuichi Iwata, Evelyn N. Wang, Jeffrey C. Grossman
Langmuir (2020), 36, 49, 15112–15118 - Design Rules for Transparent Push–Pull Electron Acceptors: A Case Study on Perylenediimide Derivatives
Ki-Jana B. Carter, Jeffrey C. Grossman
Journal of Physical Chemistry Letters, (2020), 11, 21, 9265–9271 - Failing Forward: Stability of Transparent Electrodes Based on Metal Nanowire Networks
Jatin J. Patil+ , Woo Hyun Chae+, Adam Trebach, Ki‐Jana Carter, Eric Lee, Thomas Sannicolo, Jeffrey C. Grossman (+ Equal contribution)
Advanced Materials (2020), 33, 5, 2004356 - Passive Sub-Ambient Cooling from a Transparent Evaporation-Insulation Bilayer
Zhengmao Lu, Elise Strobach, Ningxin Chen, Nicola Ferralis, Jeffrey C. Grossman
Joule, 2020, 4, 1-9 - Toward Designing Highly Conductive Polymer Electrolytes by Machine Learning Assisted Coarse-Grained Molecular Dynamics
Yanming Wang, Tian Xie, Arthur France-Lanord, Arthur Berkley, Jeremiah A Johnson, Yang Shao-Horn, Jeffrey C Grossman
Chemistry of Materials, 2020, 32, 10, 4144-4151 - Preserving nanoscale features in polymers during laser induced graphene formation using sequential infiltration synthesis
David S. Bergsman+, Bezawit A. Getachew+, Christopher B. Cooper, Jeffrey C. Grossman (+Equal Contribution)
Nature Communications, 2020, 11, 3636 - Laser-Induced Tar-Mediated Sintering of Metals and Refractory Carbides in Air
Xining Zang, Kiera Y. Tai, Cuiying Jian, Wan Shou, Wojciech Matusik, Nicola Ferralis, Jeffrey C. Grossman
ACS Nano, 2020, 14, 8, 10413–10420 - Laser-engineered heavy hydrocarbons: Old materials with new opportunities
Xining Zang, Cuiying Jian, Samuel Ingersoll, Huashan Li, J. J. Adams, Zhengmao Lu, Nicola Ferralis, Jeffrey C. Grossman
Science Advances, 2020, Vol. 6, no. 17 - Double-Sided Graphene Oxide Encapsulated Silver Nanowire Transparent Electrode with Improved Chemical and Electrical Stability
Woo Hyun Chae, Thomas Sannicolo, Jeffrey C. Grossman
ACS Appl. Mater. Interfaces, 2020, 12, 15, 17909–17920
2019
- Effect of Chemical Variations in the Structure of Poly(ethylene oxide)-Based Polymers on Lithium Transport in Concentrated Electrolytes
Arthur France-Lanord, Yanming Wang, Tian Xie, Jeremiah A Johnson, Yang Shao-Horn, Jeffrey C Grossman
Chemistry of Materials, 2019, 32, 1, 121-126 - Predicting charge density distribution of materials using a local-environment-based graph convolutional network
Sheng Gong, Tian Xie, Taishan Zhu, Shuo Wang, Eric R. Fadel, Yawei Li, Jeffrey C. Grossman
Phys. Rev. B, 2019, 100, 184103 - Charge Transport in Highly Heterogeneous Natural Carbonaceous Materials
Huashan Li, Taishan Zhu, Nicola Ferralis, Jeffrey C. Grossman
Advanced Functional Materials, 2019, 29, 1904283 - Natural Carbon By‐Products for Transparent Heaters: The Case of Steam‐Cracker Tar
Owen P. Morris, Xining Zang, Aoife Gregg, Brent Keller, Bezawit Getachew, Samuel Ingersoll, Heather A. Elsen, Mark M. Disko, Nicola Ferralis, Jeffrey C. Grossman
Advanced Materials, 2019, 31, 1900331 - Ionic Highways from Covalent Assembly in Highly Conducting and Stable Anion Exchange Membrane Fuel Cells
Yoonseob Kim, Yanming Wang, Arthur France-Lanord, Yichong Wang, You-Chi Mason Wu, Sibo LinYifan Li, Jeffrey C. Grossman, Timothy M. Swager
J. Am. Chem. Soc. 2019 - Tuning the Potential Energy Landscape to Suppress Ostwald Ripening in Surface-Supported Catalyst Systems
Huashan Li, Steven C. Hayden, Arthur France-Lanord, Elisha Converse, Brian S. Hanna, Tatiana Headrick, Kinsey Drake, Jeffrey C. Grossman
Nano Lett. 2019 - Inorganic Cage Motion Dominates Excited-State Dynamics in 2D-Layered Perovskites (CxH2x+1NH3)2PbI4 (x = 4–9)
Catherine M. Mauck, Arthur France-Lanord, Alexander C. Hernandez Oendra, Nabeel S. Dahod, Jeffrey C. Grossman, William A. Tisdale
J. Phys. Chem. C 2019 - Graph dynamical networks for unsupervised learning of atomic scale dynamics in materials
Tian Xie, Arthur France-Lanord, Yanming Wang, Yang Shao-Horn, Jeffrey C Grossman
Nature Communications, vol 10, 2667 (2019) - Epitaxial Dimers and Auger-Assisted Detrapping in PbS Quantum Dot Solids
Rachel H. Gilmore, Yun Liu, Wenbi Shcherbakov-Wu, Nabeel Dahod, Elizabeth Lee, Mark Weidman, Huashan Li, Joel Jean, Vladimir Bulovic, Adam Willard, Jeffrey C. Grossman, William Tisdale
Matter 1, 250-265, 2019 - Bandlike Transport in PbS Quantum Dot Superlattices with Quantum Confinement
Yun Liu, Nolan Peard, Jeffrey C. Grossman
J. Phys. Chem. Lett. 2019, 10, 13 3756-3762 - Correlations from Ion Pairing and the Nernst-Einstein Equation
Arthur France-Lanord and Jeffrey C. Grossman
Phys. Rev. Lett. 122, 136001 - Revealing the Cluster‐Cloud and Its Role in Nanocrystallization
Biao Jin, Yanming Wang, Zhaoming Liu, Arthur France‐Lanord, Jeffrey C Grossman, Chuanhong Jin, Ruikang Tang
Advanced Materials, 2019 - Tailoring the optical properties of MoS2 and WS2 single layers via organic functionalization
Maurizia Palummo, Antonio N D'Auria, Jeffrey C Grossman, Giancarlo Cicero
Journal of Physics: Condensed Matter, 31, 23 (2019) - Hierarchically Structured Nanoparticle Monolayers for Tailored Etching of Nanoporous Silicon
Methely Sharma, Alvin Tan, Brendan D Smith, A John Hart, Jeffrey C Grossman
ACS Appl. Nano Mater., 2019, 2 (3), pp 1146–1151
2018
- Thermodynamic limits to energy conversion in solar thermal fuels
David A Strubbe, Jeffrey C Grossman
Journal of Physics: Condensed Matter, 31, 3 (2018) - Hierarchical visualization of materials space with graph convolutional neural networks
Tian Xie, Jeffrey C Grossman
J. Chem. Phys. 149, 174111 (2018) - Polarity governs atomic interaction through two-dimensional materials
Wei Kong, Huashan Li, Kuan Qiao, Yunjo Kim, Kyusang Lee, Yifan Nie, Doyoon Lee, Tom Osadchy, Richard J Molnar, D Kurt Gaskill, Rachael L Myers-Ward, Kevin M Daniels, Yuewei Zhang, Suresh Sundram, Yang Yu, Sang-hoon Bae, Siddharth Rajan, Yang Shao-Horn, Kyeongjae Cho, Abdallah Ougazzaden, Jeffrey C Grossman, Jeehwan Kim
Nature Materials 17, 999–1004 (2018) - Atomic Structure and Dynamics of Self-Limiting Sub-Nanometer Pores in Monolayer WS2
Gyeong Hee Ryu, Arthur France-Lanord, Yi Wen†, Si Zhou, Jeffrey C. Grossman, and Jamie H. Warner
ACS Nano, 2018 - Ultralong 1D Vacancy Channels for Rapid Atomic Migration during 2D Void Formation in Monolayer MoS2
Qu Chen, Huashan Li, Si Zhou, Wenshuo Xu, Jun Chen, Hidetaka Sawada, Christopher S Allen, Angus I Kirkland, Jeffrey C Grossman, Jamie H Warner
ACS Nano, 2018, 12 (8), pp 7721–7730 - Optically Regulated Thermal Energy Storage in Diverse Organic Phase-Change Materials
G. D. Han, J. H. Deru, E. N. Cho, and J. C. Grossman
Chem. Commun. 2018 - Machine Learning Enabled Computational Screening of Inorganic Solid Electrolytes for Suppression of Dendrite Formation in Lithium Metal Anodes
Zeeshan Ahmad, Tian Xie, Chinmay Maheshwari, Jeffrey C Grossman, Venkatasubramanian Viswanathan
ACS Cent. Sci., 2018 10.1021/acscentsci.8b00229 - Electron−hole separation in ferroelectric oxides for efficient photovoltaic responses
Donghoon Kim, Hyeon Han, June Ho Lee, Jin Woo Choi, Jeffrey C. Grossman, Hyun Myung Jang, and Donghun Kim
PNAS, 2018 - Nanoporous Silicon-Assisted Patterning of Monolayer MoS2 with Thermally Controlled Porosity: A Scalable Method for Diverse Applications
Grace GD Han, Brendan D Smith, Wenshuo Xu, Jamie H Warner, Jeffrey C Grossman
ACS Appl. Nano Mater. - Freestanding organic charge-transfer conformal electronics
Zhuolei Zhang, Huashan Li, Richards Miller, Hans Malissa, Shirin Jamali, Christoph Boehme, Jeffrey C Grossman, Shenqiang Ren
Nano Lett., 2018 - Crystal Graph Convolutional Neural Networks for an Accurate and Interpretable Prediction of Material Properties
Tian Xie, Jeffrey C Grossman
Phys. Rev. Lett. 120, 145301 - Origins of the Stokes Shift in PbS Quantum Dots: Impact of Polydispersity, Ligands, and Defects
Yun Liu, Donghun Kim, Owen P Morris, David Zhitomirsky, Jeffrey C Grossman
ACS nano, 2018 - Role of Structural Defects in the Water Adsorption Properties of MOF-801
Jongwon Choi, Li-Chiang Lin, Jeffrey C Grossman
J. Phys. Chem. C, 2018, 10.1021/acs.jpcc.8b00014 - Strain-induced accelerated asymmetric spatial degradation of polymeric vascular scaffolds
Pei-Jiang Wang, Nicola Ferralis, Claire Conway, Jeffrey C Grossman, Elazer R Edelman
Proceedings of the National Academy of Sciences (2018): 201716420.
2017
- Epitaxial Templating of Two-Dimensional Metal Chloride Nanocrystals on Monolayer Molybdenum Disulfide
Shanshan Wang, Huashan Li, Junying Zhang, Shaoqiang Guo, Wenshuo Xu, Jeffrey C Grossman, Jamie H Warner
ACS Nano, 2017, 11 (6), pp 6404–6415 - Atomic Structure and Dynamics of Defects in 2D MoS2 Bilayers
Si Zhou, Shanshan Wang, Huashan Li, Wenshuo Xu, Chuncheng Gong, Jeffrey C Grossman, Jamie H Warner
ACS Omega, 2017, 2 (7), pp 3315–3324 - Ultralow thermal conductivity in all-inorganic halide perovskites
Woochul Lee, Huashan Li, Andrew B Wong, Dandan Zhang, Minliang Lai, Yi Yu, Qiao Kong, Elbert Lin, Jeffrey J Urban, Jeffrey C Grossman, Peidong Yang
Proceedings of the National Academy of Sciences (2017): 201711744. - Atomically Flat Zigzag Edges in Monolayer MoS2 by Thermal Annealing
Qu Chen, Huashan Li, Wenshuo Xu, Shanshan Wang, Hidetaka Sawada, Christopher S Allen, Angus I Kirkland, Jeffrey C Grossman, Jamie H Warner
Nano Lett., 2017, 17 (9), pp 5502–5507 - Phonon bottleneck identification in disordered nanoporous materials
Giuseppe Romano, Jeffrey C Grossman
Phys. Rev. B 96, 115425 - Six Degrees of Separation: Connecting Research with Users and Cost Analysis
Shreya H Dave, Brent D Keller, Karen Golmer, Jeffrey C Grossman
Joule - Molecular Assembly-Induced Charge Transfer for Programmable Functionalities
Zhuolei Zhang, Huashan Li, Zhipu Luo, Shuquan Chang, Zheng Li, Mengmeng Guan, Ziyao Zhou, Ming Liu, Jeffrey C Grossman, Shenqiang Ren
Chem. Mater., 2017 - Accurate Isomerization Enthalpy and Investigation of the Errors in Density Functional Theory for DHA/VHF Photochromism Using Diffusion Monte Carlo
Kayahan Saritas, Jeffrey C Grossman
J. Phys. Chem. C, 2017 - Optically-Controlled Long-Term Storage and Release of Thermal Energy in Phase-Change Materials.
Grace G. D. Han, Huashan Li, and Jeffrey C. Grossman
Nat. Commun. 2017, - Photoluminescent Arrays of Nano-Patterned Monolayer MoS2
Grace G. D. Han, Kun-Hua Tu, Farnaz Niroui, Wenshuo Xu, Si Zhou, Xiaochen Wang, Vladimir Bulović, Caroline A. Ross, Jamie H. Warner, and Jeffrey C. Grossman
Adv. Funct. Mater. 2017, In Press. - Investigation of a Quantum Monte Carlo Protocol To Achieve High Accuracy and High-Throughput Materials Formation Energies
Kayahan Saritas, Tim Mueller, Lucas Wagner, and Jeffrey C. Grossman
J. Chem. Theory Comput., 2017 - Street-heat: Controlling road temperature via low enthalpy geothermal energy
A Mauro, JC Grossman
Applied Thermal Engineering 110, 1653-1658 - Enhanced Cell Capture on Functionalized Graphene Oxide Nanosheets through Oxygen Clustering
Neelkanth M Bardhan, Priyank V Kumar, Zeyang Li, Hidde L Ploegh, Jeffrey C Grossman, Angela M Belcher, Guan-Yu Chen
ACS nano 11.2 (2017): 1548-1558. - Atomic Structure and Dynamics of Single Platinum Atom Interactions with Monolayer MoS2
Huashan Li, Shanshan Wang, Hidetake Sawada, Grace GD Han, Thomas Samuels, Christopher S Allen, Angus I Kirkland, Jeffrey C Grossman, Jamie H Warner
ACS nano (2017). - Significantly reduced thermal conductivity and enhanced thermoelectric properties of single- and bi-layer graphene nanomeshes with sub-10 nm neck-width
Jinwoo Oh, Hoyeon Yoo, Jaeyoo Choi, Jeong Yun Kim, Dong Su Lee, Myung Jong Kim, Jong-Chan Lee, Woo Nyon Kim, Jeffrey C. Grossman, Jong Hyuk Park, Sang-Soo Lee, Heesuk Kim, Jeong Gon Son
Nano Energy 35 (2017): 26-35. - Nanostructured Bulk-Heterojunction Solar Cells Based on Amorphous Carbon
Francesca Risplendi, Giancarlo Cicero, and Jeffrey C. Grossman
ACS Energy Lett., 2017, 2, pp 882–888 - Ultra-high aspect ratio functional nanoporous silicon via nucleated catalysts
Jatin J. Patil, Brendan D. Smith and Jeffrey C. Grossman
RSC Adv., 2017,7, 11537-11542 - Plasma enhanced atomic layer deposition of molybdenum carbide and nitride with bis(tert-butylimido)bis(dimethylamido) molybdenum
Adam Bertuch, Brent D. Keller, Nicola Ferralis, and Jeffrey C. Grossman, Ganesh Sundaram
Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, 2017 - Process Control of Atomic Layer Deposition Molybdenum Oxide Nucleation and Sulfidation to Large-Area MoS2 Monolayers
Brent D. Keller , Adam Bertuch, J. Provine , Ganesh Sundaram, Nicola Ferralis, and Jeffrey C. Grossman
Chem. Mater., 2017 - Molecularly Engineered Azobenzene Derivatives for High Energy Density Solid-State Solar Thermal Fuels
Eugene N. Cho, David Zhitomirsky, Grace G. D. Han, Yun Liu, and Jeffrey C. Grossman
ACS Applied Materials & Interfaces, 2017
2016
- Tuning Thermal Transport in Disordered Porous Materials via Phonon Bottleneck Identication
G Romano, JC Grossman
arXiv preprint arXiv:1612.05669 - Chemistry and Structure of Graphene Oxide via Direct Imaging
Shreya H. Dave, Chuncheng Gong, Alex W. Robertson, Jamie H. Warner, and Jeffrey C. Grossman
ACS Nano, 2016, 10 (8), pp 7515–7522 - Conformal Electroplating of Azobenzene-Based Solar Thermal Fuels onto Large Area and Fiber Geometries
David Zhitomirsky, Jeffrey C Grossman
ACS Appl. Mater. Interfaces, 2016, 8 (39), pp 26319–26325 - Photon Energy Storage Materials with High Energy Densities Based on Diacetylene-Azobenzene Derivatives
GD Han, SS Park, Y Liu, D Zhitomirsky, E Cho, M Dinca, JC Grossman
J. Mater. Chem. A, 2016, Advance Article - Optimization of the Thermoelectric Figure of Merit in Crystalline C60 with Intercalation Chemistry
Jeong Yun Kim and Jeffrey C. Grossman
Nano Letters 2016 - Band Engineering by Controlling vdW Epitaxy Growth Mode in 2D Gallium Chalcogenides
Hui Cai, Emmanuel Soignard, Can Ataca, Bin Chen, Changhyun Ko, Toshihiro Aoki, Anupum Pant, Xiuqing Meng, Shengxue Yang, Jeffrey Grossman, Frank D. Ogletree, Sefaattin Tongay
Advanced Materials 2016 - MoS2 Enhanced T-Phase Stabilization and Tunability Through Alloying
Federico Raffone, Can Ataca, Jeffrey C. Grossman, and Giancarlo Cicero
J. Phys. Chem. Lett., 2016, 7, pp 2304–2309 - Optical and Electronic Properties of Two-Dimensional Layered Materials
Marco Bernardi, Can Ataca, Maurizia Palummo, and Jeffrey C. Grossman
Nanophotonics 2016; 5:111–125 - Nanohole Structuring for Improved Performance of Hydrogenated Amorphous Silicon Photovoltaics
Eric Johlin, Ahmed Al-Obeidi, Gizem Nogay, Michael Stuckelberger, Tonio Buonassisi, and Jeffrey C. Grossman
ACS Appl. Mater. Interfaces, Article ASAP - Computer calculations across time and length scales in photovoltaic solar cells
Marco Bernardi and Jeffrey C. Grossman
Energy Environ. Sci., 2016, Advance Article - Rethinking Coal: Thin Films of Solution Processed Natural Carbon Nanoparticles for Electronic Devices.
BD Keller, N Ferralis, JC Grossman
Nano Letters (2016) - Self-driven photodetector and ambipolar transistor in atomically thin GaTe-MoS2 pn vdW heterostructure
Shengxue Yang, Cong Wang, Can Ataca, Yan Li, Hui Chen, Hui Cai, Aslihan Suslu, Jeffrey C Grossman, Chengbao Jiang, Qian Liu, Sefaattin Tongay
ACS Applied Materials & Interfaces (2016) - Enhancing light emission efficiency without color change in post-transition metal chalcogenides
Cong Wang, Shengxue Yang, Hui Cai, Can Ataca, Hui Chen, Xinzheng Zhang, Jingjun Xu, Bin Chen, Kedi Wu, Haoran Zhang, Luqi Liu, Jingbo Li, Jeffrey C Grossman, Sefaattin Tongay, Qian Liu
Nanoscale (2016) - Tunable and Energetically Robust PbS Nanoplatelets for Optoelectronic Applications
Huashan Li, David Zhitomirsky, Jeffrey C Grossman
Chemistry of Materials (2016) - Photovoltaic Performance of PbS Quantum Dots Treated with Metal Salts
Dong-Kyun Ko, Andrea Maurano, Su Kyung Suh, Donghun Kim, Gyu Weon Hwang, Jeffrey C Grossman, Vladimir Bulović, Moungi G Bawendi
ACS Nano (2016) - Catalyst Self-Assembly for Scalable Patterning of Sub 10 nm Ultrahigh Aspect Ratio Nanopores in Silicon
BD Smith, JJ Patil, N Ferralis, JC Grossman
ACS Applied Materials & Interfaces (2016) - Chemically driven interfacial coupling in charge-transfer mediated functional superstructures
Beibei Xu, Huashan Li, Haoqi Li, Andrew J Wilson, Lin Zhang, Ke Chen, Katherine Willets, Fei Ren, Jeffrey C Grossman, Shenqiang Ren
Nano Letters (2016) - Multilayer Nanoporous Graphene Membranes for Water Desalination
David Cohen-Tanugi, Li-Chiang Lin, and Jeffrey C. Grossman
Nano Lett. (2016) - New Insights into the thermal reduction of graphen oxide: Impact of Oxygen Clustering
Priyank V. Kumar, Neelkanth M. Bardhan, Guan-Yu Chen, Zeyang Li, Angela M. Belcher, Jeffrey C. Grossman
Carbon 100 90-98 (2016) - Torsional Deformations in Subnanometer MoS Interconnecting Wires
Ai Leen Koh, Shanshan Wang, Can Ataca, Jeffrey C. Grossman, Robert Sinclair, and Jamie H. Warner
Nano Lett. (2016) - Manipulating Electronic Energy Disorder in Colloidal Quantum Dot Solids for Enhanced Charge Carrier Transport
Sangjin Lee , David Zhitomirsky , and Jeffrey C. Grossman
Adv. Func. Mat. (2016) - Toward the Ultimate Limit of Connectivity in Quantum Dots with High Mobility and Clean Gaps
Huashan Li, David Zhitomirsky, Shreya Dave†, and Jeffrey C. Grossman
ACS Nano 10, 606−614 (2016) - Genome-inspired molecular identification in organic matter via Raman spectroscopy
Yun Liu, Nicola Ferralis, L. Taras Bryndzia, Jeffrey C. Grossman
Carbon 101 (2016), 361.
2015
- Simulating nanoscale heat transport
G Romano, JP Peraud, JC Grossman
arXiv preprint arXiv:1506.05856 - Room temperature multiferroicity of charge transfer crystals
W Qin, X Chen, H Li, M Gong, G Yuan, JC Grossman, M Wuttig, S Ren
ACS nano 9 (9), 9373-9379 - Sound and noisy light: Optical control of phonons in photoswitchable structures
SR Sklan, JC Grossman
Physical Review B 92 (16), 165107 - Electronic topological transitions in Cd at high pressures
Varadharajan Srinivasan, B. K. Godwal, Jeffrey C. Grossman, Raymond Jeanloz
arXiv preprint arXiv:1511.01989 - New insights into the thermal reduction of graphene oxide: Impact of oxygen clustering
PV Kumar, NM Bardhan, GY Chen, Z Li, AM Belcher, Jeffrey C. Grossman
Carbon 2015 - All-Polymeric Control of Nanoferronics
Beibei Xu, Huashan Li, Asha Hall, Wenxiu Gao, Maogang Gong, Guoliang Yuan, Jeffrey C. Grossman, and Shenqiang Ren,
Science Advances 2015 - Heat Conduction in Nanostructured Materials Predicted by Phonon Bulk Mean Free Path Distribution
Giuseppe Romano and Jeffrey C. Grossman
Journal of Heat Transfer 2015 - Predicting Electronic Structure in Tricalcium Silicate Phases with Impurities using First Principles
Kayahan Saritas, Can Ataca and Jeffrey C. Grossman
The Journal of Physical Chemistry C 2015 - Nanoporous Graphene as a Reverse Osmosis Membrane: Recent Insights from Theory and Simulation
David Cohen-Tanugi and Jeffrey C. Grossman
Desalination 2015 - Exciton Radiative Lifetimes in Two-Dimensional Transition Metal Dichalcogenides
Maurizia Palummo, Marco Bernardi and Jeffrey C. Grossman
Nano Letters 2015 - Insight on Tricalcium Silicate Hydration and Dissolution Mechanism from Molecular Simulations
Hegoi Manzano, Engin Durgun, Inigo Lopez-Arbeloa and Jeffrey C. Grossman
Applied Materials and Interfaces (2015) - Controlled Formation of Closed-edge Nanopores in Graphene
Kuang He, Alex W. Robertson, Chuncheng Gong, Christopher S. Allen, Qiang Xu, henny Zandbergen, Jeffrey C. Grossman, Angus I. Kirkland and Jamie H. Warner
Nanoscale, 7, 11602 (2015) - High-Efficiency Thermoelectrics with Functionalized Graphene
JY Kim, JC Grossman
Nano letters 15 (5), 2830-2835 (2015) - Direct correlation between aromatization of carbon-rich organic matter and its visible electronic absorption edge
Nicola Ferralis, , Yun Liu, Kyle D. Bake, Andrew E. Pomerantz, Jeffrey C. Grossman
Carbon 88: 139-147. (2015) - Identifying and Eliminating Emissive Sub‐bandgap States in Thin Films of PbS Nanocrystals
Gyu Weon Hwang, Donghun Kim, Jose M. Cordero, Mark W. B. Wilson, Chia-Hao M. Chuang, Jeffrey C. Grossman, Moungi G. Bawendi
Advanced Materials 27.30: 4481-4486. (2015) - Functionalized Graphene Superlattice as a Single‐Sheet Solar Cell
H Li, DA Strubbe, JC Grossman
Advanced Functional Materials 25 (32), 5199-5205 (2015) - Unintended consequences: Why carbonation can dominate in microscale hydration of calcium silicates
N Ferralis, D Jagannathan, JC Grossman, KJ Van Vliet
Journal of Materials Research (2015) - Solid‐State Solar Thermal Fuels for Heat Release Applications
D Zhitomirsky, E Cho, JC Grossman
Advanced Energy Materials (2015) - Atomistic understandings of reduced graphene oxide as an ultrathin-film nanoporous membrane for separations
Li-Chiang Lin & Jeffrey C. Grossman
Nature Comms.6:8335 (2015 - Stress effects on the Raman spectrum of an amorphous material: Theory and experiment on a-Si:H
David A. Strubbe, Eric C. Johlin, Timothy R. Kirkpatrick, Tonio Buonassisi, and Jeffrey C. Grossman
Phys. Rev. B 92, 241202(R) (2015) - Two-dimensional covalent triazine framework as an ultrathin-film nanoporous membrane for desalination
Li-Chiang Lin, Jongwon Choi and Jeffrey C. Grossman
Chem. Commun., 2015, 51, 14921 (2015)
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 (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) - 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 (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 (2014) - Phonon Diodes and Transistors from Magneto-Acoustics
Sophia R. Sklan and Jeffrey C. Grossman
New Journal of Physics, 16, 053029 (2014) - Grain Boundary Engineering for Improved Thin Film Silicon Photovoltaics
Rajamani Raghunathan, Eric C. Johlin and Jeffrey C. Grossman
Nano Letters (2014) - Toward Phonon-Boundary Engineering in Nanoporous Materials
Giuseppe Romano and Jeffrey C. Grossman
Applied Physics Letters, 105, 033116 (2014) - Characterization, Stability, and Reactivity of Synthetic Calcium Silicate Surfaces from First Principles
Engin Durgan, Hengoi Manzano, Priyank V. Kumar and Jeffrey C. Grossman
J. Phys. Chem. C, 118 (28), 15214-15219 (2014) - Structure-Property Relations in Amorphous Carbon for Photovoltaics
Francesca Risplendi, Marco Bernardi and Jeffrey C. Grossman
Applied Physics Letters, 105, 043903 (2014) - Polychiral Semiconducting Nanotube-Fullerene Solar Cells
Maogang Gong, Tejas A. Shastry, Yu Xie, Marco Bernardi, Daniel Jaslon, Kyles A. Luck, Tobin J. Marks, Jeffrey C. Grossman, Shenqiang Ren and Mark C. Hersam
Nano Letters (2014) - Water Permeability of Nanoporous Graphene at Realistic Pressures for Reverse Osmosis Desalination
David Cohen-Tanugi and Jeffrey C. Grossman
J. Chem. Phys., 141, 074704 (2014) - Hole-mobility-limiting Atomic Structures in Hydrogenated Amorphous Silicon
Eric C. Johlin, B. Simmons, Tonio Buonassisi and Jeffrey C. Grossman
Phys. Rev. B, 90, 104103 (2014) - Mechanical Strength of Nanoporous Graphene as a Desalination Membrane
David Cohen-Tanugi and Jeffrey C. Grossman
Nano Letters 2014 - Graphene Oxide as a Promising Hole Injection Layer for MoS2-Based electronic Devices
Tiziana Musso, Priyank V. Kumar, Adam S. Foster and Jeffrey C. Grossman
ACS Nano 2014 - Accelerating the Design of Solar Thermal Fuels Through High Throughput Simulations
Yun Liu and Jeffrey C. Grossman
Nano Letters 2014
2013
- Rapid Windshield De-Icing using Solar Thermal Fuels
Samuel W. L. Shames, Clare M. Zhang, Nicola Ferralis, and Jeffrey C. Grossman
Int. Journal of Energy Efficient Vehicle Designs, Vol. 15, p. 1114 (2013) - Scalable Enhancement of Graphene Oxide Properties by Thermally Driven Phase Transformation
Priyank V. Kumar, Neelkanth M. Bardhan, Angela M. Belcher, and Jeffrey C. Grossman
Nature Chemistry (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 (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
J. Applied Physics, 114, 133507 (2013) - Extraordinary Sunlight Absorption and 1nm-Thick Photovoltaics Using Two-Dimensional Monolayer Materials
Marco Bernardi, Maurizia Palummo and Jeffrey C. Grossman
Nano Letters (2013) - 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 (2013) - Hybrid chromophore/template nanostructures: A customizable platform material for solar energy storage and conversion
Alexie M. Kolpak and Jeffrey C. Grossman
Journal of Chemical Physics 138, 034303 (2013) - Photoswitchable Molecular Rings for Solar-Thermal Energy Storage
E. Durgun and Jeffrey C. Grossman
Journal of Physical Chemistry Letters 4, 854-860 (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
Journal of Physical Chemistry C (2013) - Origins of Structural Hole Traps in Hydrogenrated Amorphous Silicon
Eric Johlin, Lucas K. Wagner, Tonio Buonassisi and Jeffrey C. Grossman
Physical Review Letters 110, 146805 (2013) - Broad-Range Modulation of Light Emission in Two-Dimensional Semiconductors by Molecular Physisorption Gating
Sefattin Tongay, Jian Zhou, Can Ataca, Jonathan Liu, Jeong Seuk Kang, Tyler S. Matthews, Long You, Jingbo Li, Jeffrey C. Grossman and Junqiao Wu
Nano Letters (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) - Impact of Stoichiometry on the Electronic Structure of PbS Quantum Dots
Donghun Kim, Dong-Ho Kim, Joo-Hyuong Lee, and Jeffrey C. Grossman
Physical Review Letters 110, 196802 (2013) - Optimal Sunlight Harvesting in Photovoltaics and Photosynthesis
Marco Bernardi and Jeffrey C. Grossman
Journal of Physical Chemistry C (2013) - Resonant Behavior in Heat Transfer across Weak Molecular Interfaces
Sophia R. Sklan,* P. Alex Greaney* and Jeffrey C. Grossman
Journal of Applied Physics (2013)
2012
- Thermal Transport in Functionalized Graphene
Jeong Yun Kim, Joo-Hyoung Lee, and Jeffrey C. Grossman
ACS Nano, 2012, 6 (10), pp 9050–9057 - 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
Physical Review Letters 108, 026401 (2012) - Structural origins of intrinsic stress in amorphous silicon thin films
Eric Johln, Nouar Tabet, Sebastia 'n Castro-Galnares, Amir Abdallah, Mariana I. Bertoni, Tesleem Asafa, Jeffrey C. Grossman, Syed Said, and Tonio Buonassisi
Physical Review B 85, 075202 (2012) - Mesoscale modeling of phononic thermal conductivity of porous Si: interplay between porosity, morphology and surface roughness
Giuseppe Romano, Aldo Di Carlo and Jeffrey C. Grossman
Journal of Computational Electronics 11, 8 (2012) - 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
Journal of Physical Chemistry C (2012) - Set in stone? A perspective on the concrete sustainability challenge
Krystyn Van Vliet and Roland Pellenq and Markus J. Buehler and Jeffrey C. Grossman and Hamlin Jennings and Franz-Josef Ulm and Sidney Yip
MRS Bulletin, Volume 37, Issue 04, April 2012, pp 395-402. - Solar energy generation in three dimensions
Marco Bernardi, Nicola Ferralis, Jin H. Wan, Rachelle Villalon and Jeffrey C. Grossman
Energy and Environmental Science (2012) - Understanding and Controlling the Reactivity of the Calcium Silicate phases from First Principles
E. Durgun, H. Manzano, R. J. M. Pellenq, and Jeffrey C. Grossman
Chem. Mat. (2012) - 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. (2012) - Optoelectronic properties and excitons in hybridized boron nitride and graphene hexagonal monolayers
Marco Bernardi, Maurizia Palummo and Jeffrey C. Grossman
Physical Review Letters, in press (2012) - X-ray Transient Absorption and Picosecond IR Spectroscopy of Fulvalene(tetracarbonyl)diruthenium on Photoexcitation
M. R. Harpham, S. C. Nguyen, Z. Hou, J. C. Grossman, C. B. Harris, M. W. Mara, A. B. Stickrath, Y. Kanai, A. M. Kolpak, Donghwa Lee, Di-Jia Liu, J. P. Lomont, K. Moth-Poulsen, N. Vinokurov, L. X. Chen, and K. P. C. Vollhardt
Angew. Chem. Int. Ed. (2012) - Interplay between intrinsic defects, doping, and free carrier concentration in SrTiO3 thin films
E. Ertekin, V. Srinivasan, J. Ravichandran, P. B. Rossen, W. Siemons, A. Majumdar, R. Ramesh, and J. C. Grossman
Physical Review B 85, 195460 (2012) - Water Desalination across Nanoporous Graphene
D. Cohen-Tanugi and Jeffrey C. Grossman
Nanoletters (2012) - Thermally Driven Crossover from Indirect toward Direct Bandgap in 2D Semiconductors: MoSe2 versus MoS2
S. Tongay, J. Zhou, C. Ataca, K. Lo,T. S. Matthews, J. Li, J. C. Grossman, and J. Wu
Nanoletters (2012) - Nanocarbon-Based Photovoltaics
M. Bernardi, J. Lohrman, P. V. Kumar, A. Kirkeminde, N. Ferralis, J. C. Grossman, and S. Ren
ACS Nano (2012)
2011
- MPemba-Like Behavior in Carbon Nanotube Resonators
P. Alex Greaney, Giovanna Lani, Giancarlo Cicero and Jeffrey C. Grossman
Metallurgical and Materials Transactions A 42A 3907-3912 (2011) - Energy gap of Kronig-Penney-type hydrogenated graphene superlattices
Joo-Hyoung Lee and Jeffrey C. Grossman
Physical Review B 84(11), 113413 (2011) - Interplay of Wetting and Elasticity in the Nucleation of Carbon Nanotubes
Dmitri Schebarchov, Shaun C. Hendy, Elif Ertekin and Jeffrey C. Grossman
Physical Review Letters 107, 185503 (2011) - 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(12), 5316–5321 (2011) - Azobenzene-functionalized carbon nanotubes as high-energy density solar thermal fuels
A. Kolpak and J. C. Grossman
Nanoletters 11, 3156 (2011) - 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) - Phonostat: Thermostatting phonons in molecular dynamics simulations
Rajamani Raghunathan, P. Alex Greaney, and Jeffrey C. Grossman
J. Chem. Phys. 134, 214117 (2011) - 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
Preview 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) - 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)
2010
- 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) - 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) - Three-dimensional photovoltaics
B. Meyrs, M. Bernardi, and J. C. Grossman
Applied Physics Letters 96, 71902 (2010) - 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) - 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) - Quantum Monte Carlo Calculations for Minimum Energy Structures
L. K. Wagner and J. C. Grossman
Physical Review Letters 104, 210201 (2010) - Magnetic Properties in Graphene-Graphane Superlattices
J. H. Lee and J. C. Grossman
Applied Physics Letters 97, 133102 (2010) - 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) - 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)