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Journal Articles

(* corresponding author; underlined: my students/postdocs; # Equal contribution)


[65]  E. LeeT. Luo*, Thermal Transport across Solid-Solid Interfaces Enhanced by Pre-Interface Isotope-Phonon Scattering, App. Phys. Lett. 112, 011603 (2018)


[64]  Z. Liu, X. Wu, V. Varshney, J. Lee, G. Qin, A. K. Roy, M. Hu and T. Luo*, Bond Saturation Significantly Enhances Thermal Transport Capability of Two-Dimensional Pentagonal Materials, Nano Energy,doi:10.1016/j.nanoen.2017.12.032 (2017)

[63]   J. Morales-Ferreiro*, D. E. Diaz-Droguet, D. Celentano, T. Luo, First-Principles Calculations of Thermoelectric Properties of IV-VI Chalcogenides 2D Materials, Frontiers in Mechanical Engineering, doi: 10.3389/fmech.2017.00015 (2017)

[62]    S. Luo, J. Schiffbauer, T. Luo*, Effect of Cooling on Droplet Size in Supersaturation-Induced Emulsion, Phys. Chem. Chem. Phys, 19, 29855 – 29861 (2017)

[61]    X. Wei, T. Zhang, and T. Luo*, Molecular Fin Effect from Heterogeneous Self-Assembled Monolayer Enhances Thermal Conductance across Hard-Soft Interfaces, ACS Appl. Mat. & Int., 10.1021/acsami.7b07169 (2017)

[60]    X. Wei, T. Zhang, and T. Luo*, Thermal Energy Transport across Hard-Soft Interfaces, ACS Energy Letters, invited perspective, 2, 2283–2292, 10.1021/acsenergylett.7b00570 (2017)

[59]    M. Yarali, X. Wu, T. Gupta, L. Xie, Z. Zhu, J. Bao, S. Chen, T. Luo, N. Koratkar, A. Mavrokefalos, Effects of defects on the temperature dependent thermal conductivity of suspended monolayer MoS2 grown by chemical vapor deposition, Advanced Functional Materials, in press (2017)

[58]    S. Alotaibi*, O. M. Ibrahim, S. Luo and T. Luo, Modeling of a continuous water desalination process using directional solvent extraction, Desalination, 420 114–124 (2017) 

[57]    Y. Chang, C. Liu, S. Rouvimov, T. Luo, S. Feng, Electrochemical Synthesis to Convert Ag Film into Ag Nanoflowers with High Electrocatalytic Activity, Chem. Commun., 2017,53, 6752-6755 (2017) 

[56]     E. Lee, T. Luo*, The Role of Optical Phonons in Intermediate Layer-Mediated Thermal Transport Across Solid Interfaces, Physical Chemistry Chemical PhysicsAccepted (2017)

[55]     T. Yoo, E. Lee, S. Dong, X. Li, X. Liu, J. Furdyna, M Dobrowolska, T. Luo*, Thermal Conductivity of Bi2(SexTe1-x)3 Alloy Films Grown by Molecular Beam Epitaxy, APL Materials, 5, 066101 (2017)

[54]     M. Zhukovskyi, V. V. Plashnitsa, N. Petchsang, A. Ruth, A. Bajpai, F. Vietmeyer, Y. Wang, M. Brennan, Y. Pang, K. Werellapatha, B. Bunker, S. Chattopadhyay, T. Luo, B. Janko, P. Fay, M. Kuno*, Molybdenum Carbamate Nanosheets as A New Class of Pontential Phase Change Materials, Nano Letters, 17(6), 3902-3906 (2017)

[53]     F. Herrera, T. Luo, D. B. Go*, Thermal Rectification under Transient Conditions: The Role of Thermal Capacitance and Thermal Conductivity, J. Heat Trans., 139(9), 091301 (2017)

[52]     J. YangY. Pang, W. Huang, S. K. Shaw, J. Schiffbauer, M. A. Pillers, X. Mu, S. Luo, T. Zang, Y. Huang, G. Li, S. Ptasinska, M. Lieverman, T. Luo*, Functionalized Graphene Enables Highly Efficient Solar Thermal Steam GenerationACS Nano Accepted DOI: 10.1021/acsnano.7b00367

[51]     X. Wu, V. Varshney, J. Lee, Y. Pang, A. K. Roy, T. Luo*, How to Characterize Thermal Transport Capability of 2D Materials Fairly?- Sheet Thermal Conductance and the Choice of ThicknessChemical Physics Letters 669 233-237 (2017)

[50]     Z. Liu, X. Wu, T. Luo*, The Impact of Hydrogenation on the Thermal Transport of Silicene, 2D Materials, 4 025002 (2017)


[49]     E. Lee, T. Zhang, T. Yoo, Z. Guo, T. Luo*, Nanostructures Significantly Enhance Thermal Transport across Solid Interfaces, ACS Appl. Mat. & Int., 8(51) 35505-35512 (2016)

[48]     J. Morales-Ferreiro, D. E. Diaz-Droguet,* D. Celentano, J.S. Reparaz, C.M. Sotomayor Torres, S. Ganguli, and T. Luo, Effect of the Annealing on the Power Factor of Un-doped Cold-Pressed SnSe , Applied Thermal Engineering, 111 1426-1432 (2016)

[47]     N. Ma, N. Tanen, A. Verma, Z. Guo, T. Luo, D. Jena*, Instrinsic Electron Mobility Limits in beta-Ga2O3, App. Phys. Lett., 109, 212101 (2016) 

[46]     T. Zhang, A. Gans-Forrest, E. Lee, X. Zhang, C. Qu, Y. Pang, F. Sun, and T. Luo*,The role of Hydrogen Bonds in Thermal Transport across Hard-Soft Material Interfaces ACS Appl. Mat. & Int., 10.1021/acsami.6b12073 (2016)

[45]     X. Wei, T. Zhang, T. Luo*, Chain Conformation-Dependent Thermal Conductivity of Amorphous Polymer Blends: The Impact of Inter- and Intra-chain Interactions, Physical Chemistry Chemical Physics, Accepted, DOI: 10.1039/C6CP06643G

[44]     S. Luo, S. Schiffbauer, T. Luo*, Effect of electric field non-uniformity on droplets coalescence, Physical Chemistry Chemical Physics, 18, 29786-29796 (2016)

[43]     P. Li#, S. Yang#, T. Zhang#, K. Hippalgaonkar, T. Luo, X. Zhang, S. Shen*, Tunable thermal transport in Polysilsesquioxane (PSQ) hybrid crystals, Scientific Reports, 6, 21452 (2016)

[42]     T. Jiang#, X. Zhang#, S. Vishwanath#, X. Mu#, V. Kanzyuba, D. Sokolov, S. Ptasinska, D. B. Go, H. G. Xing, T. Luo*, Covalent bonding modulated graphene-metal interfacial thermal transport, Nanoscale, 8 , 10993-11001 (2016)

[41]     X. Mu, Z. Song, Y. Wang, Z. Xu, D. B. Go, T. Luo*, Thermal transport in oxidized polycrystalline graphene, Carbon, 108, 318–326 (2016)

[40]     E. Lee, T. Zhang, M. Hu, T. Luo*, Thermal boundary conductance enhancement using experimentally achievable nanostructured interfaces – analytical study combined with molecular dynamics simulation, Physical Chemistry Chemical Physics 18, 16794-16801 (2016)

[39]     X. Wu, V. Varshney, J. Lee, T. Zhang, J. L. Wohlwend, A. K. Roy, T. Luo*, Hydrogenation of Penta-Graphene Leads to Unexpected Large Improvement in Thermal Conductivity, Nano Letters 16, 3925–3935 (2016)

[38]     T. Zhang, T. Luo*, The Role of Chain Morphology and Stiffness in Thermal Conductivity of Amorphous Polymers, Journal of Physical Chemistry B 120, 803-812 (2016)

[37]     X. Wu, J. Lee, V. Varshney, J. L. Wohlwend, A. K. Roy, T. Luo*, Thermal Conductivity of Wurtzite Zinc-Oxide from First-Principles Lattice Dynamics – a Comparative Study with Gallium Nitride, Scientific Reports 6, 22504 (2016)

[36]     P. Li#, S. Yang#, T. Zhang#, K. Hippalgaonkar, T. Luo, X. Zhang, S. Shen*, Tunable thermal transport in Polysilsesquioxane (PSQ) hybrid crystals, Scientific Reports 6, 21452 (2016)

[35]     Z. Guo, S. Yoon, J. Manser, P. V. Kamat, and T. Luo*, Structural Phase- and Degradation- Dependent Thermal Conductivity of CH3NH3PbI3 Perovskite Thin Films, Journal of Physical Chemistry C 120, 6394 (2016)


[34]     X. Mu, L. Wang, X. Yang, P. Zhang, A. C. To*, T. Luo*, Ultra-low Thermal Conductivity in Si/Ge Hierarchical Superlattice Nanowire, Scientific Reports 5, 16697 (2015)

[33]     T. Zhang, T. Luo*, Giant Thermal Rectification from Polyethylene Nanofiber Thermal Diodes, Small, DOI: 10.1002/smll.201501127 (2015) (highlighted as frontpiece)

[32]     Z. Guo, A. Verma, X. Wu, F. Sun, A. Hickman, T. Masui, A. Kuramata, M. Higashiwaki, D. Jena, T. Luo*, Anisotropic Thermal Conductivity in Single Crystal β-Gallium Oxide, Applied Physics Letters 106, 111909 (2015)

[31]     X. Mu, T. Zhang, D. B. Go, T. Luo*, Coherent and Incoherent Phonon Thermal Transport in Isotopically Modified Graphene Superlattices, Carbon 83, 208 (2015)

[30]     X. Wu and T. Luo*, Effect of Electron-Phonon Coupling on Thermal Transport across Metal-Nonmetal Interface – A Second Look , Europhys. Let. 110, 67004 (2015)

[29]     N. Yang, T. Luo, K. Esfarjani, A. Henry, Z. Tian, J. Shiomi, Y. Chalopin, B. Li, G. Chen*, Thermal Interface Conductance between Aluminum and Silicon by Molecular Dynamics Simulations, Journal of Computational and Theoretical Nanoscience 12, 168-174 (2015)

[28]     J. A. Johnson*, J. K. Eliason, A. A. Maznev, ,T. Luo, K. A. Nelson, Non-diffusive thermal transport in GaAs at micron length scales, Journal of Applied Physics 118, 155104 (2015)

[27]     X. Wu, N. Yang, T. Luo*, Unusual Isotope Effect on Thermal Transport of Single Layer Molybdenum Disulphide (MoS2), Applied Physics Letters 107, 191907 (2015)

[26]     Z. Jin, Q. Liao, H. Fang, Z. Liu, W. Liu, Z. Ding, T. Luo, N. Yang*, A Revisit to High Thermoelectric Performance of Single-layer MoS2, Scientific Reports 5, 18342 (2015)

[25]     Z. Song, X. Mu, T. Luo*, Z. Xu*, A Revisit to High Thermoelectric Performance of Single-layer MoS2, Scientific Reports 5, 18342 (2015)



[24]     Z. Guo, D. Lee, J. Strzalka, H. Gao, L. Huang, Ali M. Khounsary, T. Luo*, Thermal Conductivity of Organic Bulk Heterojunction Solar Cell: Unusual Binary Mixing Effect, Phys. Chem. Chem. Phys., 16, 26359 – 26364 (2014). DOI:10.1039/C4CP04099F

[23]     T. Zhang, X. Wu and T. Luo*, Polymer Fibers with Outstanding Thermal Conductivity and Thermal Stability: Fundamental Linkage between Molecular Characteristics and Macroscopic Thermal Properties, J. Phys. Chem. C, 118, 21148–21159 (2014). DOI: 10.1021/jp5051639 (2014)

[22]     Z. Guo, D. Lee; R. Schaller, X. Zuo; B. Lee, T. Luo, H. Gao and L. Huang*, Relationship between Interchain Interaction, Exciton Delocalization, and Charge Separation in Low-bandgap Copolymer Blends, Journal of the American Chemical Society, 136, 10024 (2014)

[21] F. Sun#, T. Zhang#, M. M. Jobbins, Z. Guo, X. Zhang, Z. Zheng, D. Tang, S. Ptasinska, T. Luo*, Molecular Bridge for Significantly Enhanced Thermal Transport across Hard-Soft Material Interfaces, Advanced Materials, 26, 6093-6099 (2014)

[20] Z. Guo#, D. Lee#, Y. Liu, F. Sun, A. Sliwinski, H. Gao, B. Peter, T. Luo*, Tuning the Thermal Conductivity of Solar Cell Polymers through Side Chain Engineering, Phys. Chem. Chem. Phys., 16, 7764 - 7771 (2014)

[19] S. Lee, K. Esfarjani, T. Luo, J. Zhou, Z. Tian and G. Chen*, Resonant bonding leads to low lattice thermal conductivity, Nature Communications, 5, 3525 (2014) 

[18] X. Mu, X. Wu, T. Zhang, D. Go, T. Luo*, Thermal Transport in Graphene Oxide – From Ballistic Extreme to Amorphous Limit, Scientific Reports, 4, 3909 (2014)

[17] D. Rish, S. Luo, B. Kurtz, and T. Luo*, Exceptional Ion Rejection Ability of Directional Solvent for Non-Membrane Desalination, Applied Physics Letters, 104, 024102 (2014)

[16] R. Yan, J. Simpson, S. Bertolazzi, J. Brivio, M. Watson, X. Wu, A. Kis, T. Luo, A. H. Walker, and H. G. Xing*, Thermal Conductivity of Monolayer Molybdenum Disulfide Obtained from Temperature-Dependent Raman Spectroscopy, ACS Nano, 8, 986 (2014)



[15] X. Wu, T. Luo*, The Importance of Anharmonicity in Thermal Transport across Solid-Solid Interfaces, , J. Appl. Phys., 115, 014901 (2013)

[14] T. Zhang and T. Luo*, High-Contrast, Reversible Thermal Conductivity Regulation Utilizing the Phase Transition of Polyethylene Nanofibers, ACS Nano, 7, 7592 (2013)

[13] T. Luo and G. Chen*, Nanoscale Heat Transfer – from Computation to Experiment, Phys. Chem. Chem. Phys., 15, 3389 (2013)

[12] T. Luo*, J. Garg, K. Esfarjani, J. Shiomi, G. Chen*, Gallium Arsenide Thermal Conductivity and Optical Phonon Relaxation Times from First-Principles Calculations, Europhys. Let., 101, 16001 (2013)



[11] T. Zhang and T. Luo*, Morphology-Influenced Thermal Conductivity of Polyethylene Single Chains and Crystalline Fibers, J. App. Phys., 112, 094304 (2012)

[10] T. Luo* and J. R. Lloyd*, Enhancement of Thermal Energy Transport across Graphene/Graphite and Polymer Interfaces – A Molecular Dynamics Study, Adv. Funct. Mater., 22, 2495 (2012)


2011 and before:

[9] T. Luo, A. Bajpayee, A. Muto and G. Chen*, Directional Solvent for Membrane-Free Water Desalination – A Molecular Level Study, J . Appl. Phys., 110, 054905 (2011) (selected for the Virtual Journal of Biological Physics Research)

[8] T. Luo, K. Esfarjani, J. Shiomi, A. Henry and G. Chen*, Molecular Dynamics Study of Thermal Transport in Polydimethylsiloxane (PDMS), J. of App. Phys., 109, 074321 (2011)

[7] A. Bajpayee, T. Luo, A. Muto and G. Chen*, Very Low Temperature Membrane Free Desalination by Directional Solvent Extraction, Energy Environ. Sci., 4, 1672 (2011)

[6] T. Luo and J. R. Lloyd*, Molecular Dynamics Study of Thermal Transport in GaAs-SAM-GaAs Junctions with Ab-initio Characterization of Thiol-GaAs Bonds, J. of App. Phys., 109, 034301  (2011) (selected for the Virtual Journal of Nanoscale Science and Technology)

[5] T. Luo and J. R. Lloyd*, Non-Equilibrium Molecular Dynamics Study of Thermal Energy Transport in Au-SAM-Au Junctions, Int. J. of Heat and Mass Transfer, 53, 1 (2010)

[4] T. Luo and J. R. Lloyd*, Equilibrium Molecular Dynamics Study of Lattice Thermal Conductivity/Conductance of Au-SAM-Au Junctions, J. Heat Transfer, 132, 032401 (2010)

[3] T. Luo and J. R. Lloyd*, Grand Canonical Monte Carlo Simulation of Hydrogen Adsorption in Different Carbon Nano Structures, Int. J. of Ene. for a Clean Env., 10, 37 (2009)

[2] J. Tan, D. Qi* and T. Luo, A New Approach to the Calculation of Euler Work for Centrifugal Fan Impellers, Proc. IMechE , part C, J. of Mech. Eng. Sci., 223, 1591 (2009)

[1] T. Luo and J. R. Lloyd*, Ab-initio Molecular Dynamics Study of Nanoscale Thermal Energy Transport, J. Heat Transfer, 130, 122403 (2008)