Liangbo Liang

Research Staff Member

Dr. Liangbo Liang is a research staff member in the Center for Nanophase Materials Sciences (CNMS) at Oak Ridge National Laboratory (ORNL). Prior to that, He was a Wigner Fellow at ORNL from 2015 to 2018. He received his Ph.D. degree in Physics from Rensselaer Polytechnic Institute (RPI) in 2014. Liang’s thesis research is the development and employment of theoretical/computational methods to understand low-dimensional systems. which was recognized by the Huntington Award at RPI. As a Wigner Fellow at ORNL, he worked on integration of accurate theoretical/computational approaches with various experimental techniques for the understanding of nanomaterials and quantum materials, including modeling of scanning tunneling microscopy/spectroscopy (STM/S), Raman scattering, photoluminescence spectroscopy.

His current research generally lies in condensed matter theory and computational physics, focusing on developing and applying large-scale theoretical/computational methods on supercomputers to understand and engineer diverse materials from first principles. Methods including DFT and many-body GW approach are used to study electronic, magnetic, optical, vibrational, and Raman scattering properties of quantum materials and nanomaterials such as carbon nanotubes, graphene, transition metal dichalcogenides, metal halides, black phosphorus, etc. (Publication links and

Research Areas (Theoretical Condensed Matter Physics; Computational Physics; First-principles Density Functional Theory; Many-body GW Approximation; Quantum Materials; Nanomaterials)

1. Theoretical research on diverse properties of quantum materials and nanomaterials, including their electronic, magnetic, optical, vibrational, thermal, thermoelectric, piezoelectric, photovoltaic properties, etc.

2. Developing and applying computational packages for quantum mechanical modeling of various experimental techniques including scanning tunneling microscopy, Raman spectroscopy, photoluminescence spectroscopy, etc.

3. Close collaborations with experimentalists across the world to corroborate and guide experimental measurements on diverse systems ranging from molecules to nanomaterials to strongly correlated systems.

Professional Experience

2018–Present  Research Staff, CNMS, ORNL

2015–2018      Eugene P. Wigner Fellow/Research Staff Associate, CNMS, ORNL

2014–2015      Postdoctoral Research Associate, Department of Physics, RPI

2010–2014      Graduate Research Assistant, Department of Physics, RPI

Professional and Synergistic Activities

2019      Invited Talk at the GrapheneforUS 2019 International Conference

2018      Invited Talk at the Fifth Wuhan University International Forum (China)

2017      Invited Talk at Graphene Week 2017 (Greece)

2017      Invited Talk at 2017 CNMS-SNS User Meeting Workshop

2016     Contributed Talk at American Physical Society March Meeting

2015     Program Coordinator for International Phosphorene Symposium

2014     Contributed Talk at American Physical Society March Meeting

2013     Invited Talk at the Physics Colloquium of Rensselaer Polytechnic Institute

Referee to journals: Nature Communications, ACS Nano, Nanoscale, Carbon, Scientific Reports, Small,  Physical Chemistry Chemical Physics, Nanotechnology, 2D Materials, Materials Chemistry and Physics, Journal of Applied Physics, Review of Scientific Instruments, etc.

Selected Publications (

(70+ publications in total with 3,400+ citations and h-index=27+including papers in high-impact journals such as Nature Nanotechnology, Nature Communications, Science Advances, Physical Review Letters, Nano Letters, ACS Nano, JACS, Advanced Materials, PNAS, Nanoscale, Angewandte Chemie, 2D Materials, etc.)

  1. A. Puretzky, A. Oyedele, K. Xiao, A. V. Haglund, B. Sumpter, D. Mandrus, D. B. Geohegan, L. Liang*, “Anomalous interlayer vibrations in strongly coupled layered PdSe2”, 2D Materials, 5, 035016 (2018). [*Corresponding author]
  2. G. D. Nguyen, L. Liang*, Q. Zou, M. Fu, A. Oyedele, B. Sumpter, Z. Liu, Z. Gai, K. Xiao, A. Li*, “3D imaging and manipulation of subsurface selenium vacancies in PdSe2”, Physical Review Letters, 121, 086101 (2018). [*Co-corresponding author]
  3. L. Liang*, A. Puretzky, B. Sumpter, V. Meunier, “Interlayer bond polarizability model for stacking-dependent low-frequency Raman scattering in layered materials”, Nanoscale, 9, 15340 (2017). [*Corresponding author]
  4. L. Liang, J. Zhang, B. Sumpter, Q. Tan, P. Tan, V. Meunier, “Low-Frequency Shear and Layer-Breathing Modes in Raman Scattering of Two-Dimensional Materials", ACS Nano, 11, 11777 (2017).
  5. C. Ma, L. Liang*, Z. Xiao, A. Puretzky, W. Lu, V. Meunier, J. Bernholc, A. Li*, “Seamless staircase electrical contact to semiconducting graphene nanoribbon”, Nano Letters, 17, 6241 (2017). [*Co-corresponding author]
  6. A. Oyedele*, S. Yang*, L. Liang*, A. Puretzky, K. Wang, J. Zhang, P. Yu, P. Pudasaini, A. Ghosh, Z. Liu, C. Rouleau, B. G. Sumpter, M. Chisholm, W. Zhou, P. Rack, D. B. Geohegan, K. Xiao, “PdSe2: Pentagonal Two-Dimensional Layers with High Air Stability for Electronics”, Journal of the American Chemical Society, 139, 14090 (2017). [*Co-first author]
  7. A. A. Puretzky*, L. Liang*, X. Li, K. Xiao, B. G. Sumpter, V. Meunier, D. B. Geohegan, “Twisted MoSe2 Bilayers with Variable Local Stacking and Interlayer Coupling Revealed by Low-Frequency Raman Spectroscopy”, ACS Nano, 10, 2736 (2016). [*Co-first author]
  8. S. Huang*, L. Liang*, X. Ling*, A. A. Puretzky, D. B. Geohegan, B. G. Sumpter, J. Kong, V. Meunier, M. S. Dresselhaus, “Low-Frequency Interlayer Raman Modes to Probe Interface of Twisted Bilayer MoS2”, Nano Letters, 16,1435 (2016). [*Co-first author]
  9. H. Wang, J. Bang*, Y. Y. Sun, L. Liang*, D. West*, V. Meunier, S. Zhang, “The role of collective motion in the ultrafast charge transfer in van der Waals heterostructures”, Nature Communications, 7, 11504 (2016). [*Co-corresponding author]
  10. W. Parkin*, A. Balan*, L. Liang*, P. Das, M. Lamparski, C. Naylor, A. Johnson, V. Meunier, M. Drndic, “Raman Shifts in Electron-Irradiated Monolayer MoS2”, ACS Nano, 10, 4134 (2016). [*Co-first author]
  11. X. Ling*, L. Liang*, S. Huang,  A. A. Puretzky, D. B. Geohegan, B. G. Sumpter, J. Kong, V. Meunier, M. S. Dresselhaus, “Low-frequency Interlayer Breathing Modes in Few-layer Black Phosphorus”, Nano Letters, 15, 4080 (2015). [*Co-first author]
  12. L. Liang, V. Meunier, “Atomically Precise Graphene Nanoribbon Heterojunctions for Excitonic Solar Cells”, The Journal of Physical Chemistry C, 119, 775 (2015).
  13. G. Li, L. Liang, Q. Li, M. Pan, V. Nascimento, X. He, A. Karki, V. Meunier, R. Jin, J. Zhang, E. Plummer, “Role of antiferromagnetic ordering in the (1×2) surface reconstruction of Ca(Fe1−xCox)2As2”, Physical Review Letters, 112 (2014).
  14. L. Liang, J. Wang, W. Lin, B. G. Sumpter, V. Meunier, M. Pan, “Electronic Bandgap and Edge Reconstruction in Phosphorene Materials”, Nano Letters, 14, 6400 (2014).
  15. J. Cai, C. A. Pignedoli, L. Talirz, P. Ruffieux, H. Söde, L. Liang, V. Meunier, R. Berger, R. Li, X. Feng, K. Müllen, R. Fasel, “Graphene nanoribbon heterojunctions”, Nature Nanotechnology, 9, 896 (2014).
  16. L. Liang, V. Meunier, “First-principles Raman spectra of MoS2, WS2 and their heterostructures”, Nanoscale, 6, 5394 (2014).
  17. L. Liang, V. Meunier, “Electronic and thermoelectric properties of assembled graphene nanoribbons with elastic strain and structural dislocation”, Applied Physics Letters, 102, 143101 (2013).
  18. L. Liang, V. Meunier, “Electronic structure of assembled graphene nanoribbons: Substrate and many-body effects”, Physical Review B, 86, 195404 (2012).
  19. L. Liang, E. Cruz-Silva, E. C. Girão, V. Meunier, “Enhanced thermoelectric figure of merit in assembled graphene nanoribbons”, Physical Review B, 86, 115438 (2012).
  20. E. C. Girão, L. Liang, E. Cruz-Silva, A. Filho, V. Meunier, “Emergence of atypical properties in assembled graphene nanoribbons”, Physical Review Letters, 107, 135501 (2011).


2017 CNMS Division Award: Distinguished Scientific Paper
2017 CNMS Division Award: Outstanding Scientific or Technical Contribution
2016 CNMS Division Award: Most Notable CNMS User Project
2015 Eugene P. Wigner Fellowship of Oak Ridge National Laboratory
2015 Outstanding Reviewer - Journal Carbon
2014 Hillard B. Huntington Award for Outstanding Graduate Student at RPI
2008 Outstanding Undergraduate Student of Wuhan University
2007 First Prize of the National Scholarship
2006 Samsung Scholarship


Center for Nanophase Materials Sciences