EDUCATION

2011 PhD in physics, Institute of Physics, Chinese Academy of Sciences, Beijing, China

12/2008-11/2010 visiting PhD student, Institute of Materials Science, TU Dresden / International Max Planck Research School for “Dynamical Processes in Atoms, Molecules and Solids”, Dresden, Germany

2006 BSc in physics, Zhengzhou University, Zhengzhou, China

Professional Experience

02/2015-12/2015 Researcher, Laboratory for Innovation in New Energy Technologies and Nanometerials (LITEN), CEA, Grenoble, France

09/2013-01/2015 Marie Curie Postdoctoral Research Fellow / Experienced Researcher, Scientific Computing & Modelling NV, Amsterdam, Netherlands

09/2011-08/2013 Postdoctoral Engineer, Laboratory for Innovation in New Energy Technologies and Nanometerials (LITEN), CEA, Grenoble, France

Research areas:

Theoretical especially computational research on electrical, thermal and thermoelectric transport, low dimensional materials, thermoelectric materials, topological materials, electron-phonon coupling, phonon physics, spectra (Raman, optical absorption...) simulation, etc.

Student supersivion:

Fanchen Meng, PhD student, co-supervised with Prof. Jian HE,Clemson University, USA, 12/2016-present

Yuhao FU, PhD student, co-supervised with Prof. Lijun ZHANG,Jilin University, China, 09/2014-02/2016

Jinlong MA, PhD student, co-supervised with Prof. Xiaobing LUO,Huazhong University of Science and Technology, China, 09/2013-05/2016

Postdoc supersivion:

Jinlong MA, PhD from Huazhong University of Science and Technology, China 06/2016-05/2018 currently AP at HUST

Zahid RASHID, PhD from Utrecht University, the Netherlands 09/2016-11/2018

Arun NISSIMAGOUDAR, PhD from Karnatak University, India 09/2016-11/2018 currently postdoc at UNIST

Yani CHEN, PhD from Joseph Fourier University, France 10/2016-09/2019 currently research assistant professor

Ashis Kundu, PhD from IIT Guwahati, 03/2019-present

Xiaolong Yang, PhD from Xi’an Jiaotong University, 07/2019-present

Zhichao Liu, PhD from Xi’an Jiaotong University, 09/2019-present

Songsong Sun, PhD from Southwest Jiaotong University, 11/2019-10/2020

Peer-reviewed publications:

(* denotes corresponding author)

(For citation statistics, see https://scholar.google.com.hk/citations?user=DXiwgH8AAAAJ&hl=en)

63. Jinlong Ma,Wu Li, and Xiaobing Luo, First-principles study of the drift and Hall mobilities of perovskite BaSnO3, Phys. Rev. B 106, 045201 (2022)

62. Zherui Han#, Xiaolong Yang#, Sean E. Sullivan, Tianli Feng, Li Shi,Wu Li*, and Xiulin Ruan*, Raman Linewidth Contributions from Four-Phonon and Electron-Phonon Interactions in Graphene, Phys. Rev. Lett. 128, 045901 (2022)

61. Zherui Han, Xiaolong Yang,Wu Li, Tianli Feng, and Xiulin Ruan*, FourPhonon: An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity, Comput. Phys. Commun. 270,108179 (2021)

60. Xiaolong Yang, Zhe Liu, Fanchen Meng, andWu Li*, Tuning the phonon transport in bilayer graphene to an anomalous regime dominated by electron-phonon scattering, Phys. Rev. B 104, L100306 (Letter) (2021)

59. Zhichao Liu, Xiaolong Yang, Bo Zhang, andWu Li*, High Thermal Conductivity of Wurtzite Boron Arsenide Predicted by Including Four-Phonon Scattering with Machine Learning Potential, ACS Applied Materials and Interfaces 13, 53409 (2021)

58. Guiming Guo, Xiaolong Yang, Jesus Carrete, andWu Li*, Revisiting the thermal conductivity of Si, Ge and diamond from first principles: roles of atomic mass and interatomic potential, J. Phys.: Condens. Matter 33 285702 (2021)

57. Ashis Kundu, Xiaolong Yang, Jinlong Ma, Xiulin Ruan, Tianli Feng, Jesus Carrete, Georg K. H. Madsen, andWu Li*, Ultrahigh thermal conductivity in θ-phase tantalum nitride, Phys. Rev. Lett. 126, 115901 (2021)

56. Xiaolong Yang, Ajit Jena, Fanchen Meng, Shihao Wen, Jinlong Ma, Xiaoguang Li, andWu Li*, Indirect Electron-Phonon Interaction Leading to Significant Reduction of Thermal Conductivity in Graphene，Materials Today Physics, 18, 100315 (2021)

55. Chongqun Xia,Wu Li, Dengke Ma, Lifa Zhang, Electronic and thermal properties of monolayer beryllium oxide from first principles, Nanotechnology 31, 375705 (2020)

54 Arun Nissimagoudar, Zahid Rashid, Jinlong Ma, andWu Li*, Lattice Thermal Transport in Monolayer Group 13 Monochalcogenides MX (M= Ga, In; X= S, Se, Te): Interplay of Atomic Mass, Harmonicity, and Lone-Pair-Induced Anharmonicity, Inorganic Chemistry 59, 14899(2020)

53 Jinlong Ma, Fanchen Meng, Jian He, Yu Jia, andWu Li*, Strain induced ultrahigh electron mobility and thermoelectric figure of merit in monolayer a-Te, ACS Applied Materials and Interfaces 12, 43901 (2020)

52 Shihao Wen, Jinlong Ma, Ashis Kundu, andWu Li*, Large lattice thermal conductivity, interplay between phonon-phonon, phonon-electron, and phonon-isotope scatterings, and electrical transport in molybdenum from first principles, Phys. Rev. B 102, 064303 (2020)

51 Fanchen Meng, Songsong Sun, Jinlong Ma, Charles Chronister, Jian He,Wu Li*, Anisotropic thermoelectric figure-of-merit in Mg3Sb2, Materials Today Physics 13, 100217 (2020)

50 Jinlong Ma, Arun S. Nissimagoudary, Shudong Wang,Wu Li*, High thermoelectric figure of merit of full-Heuslers Ba2AuX (X=As, Sb and Bi), physica status solidi (RRL) - Rapid Research Letters (2020)

49 Ashis Kundu, Jinlong Ma, Jesús Carrete, Georg K. H. Madsen andWu Li*, Phonons anomalously Dominate the Thermal Conductivity in the Metallic Tungsten Carbide and its origin in the electronic structure, Materials Today Physics 13, 100214 (2020)

48 Tao Hu, Jinxing Yang,Wu Li, and Xiaohui Wang, and Changming Li, Quantifying the rigidity of 2D carbide (MXenes), Phys. Chem. Chem. Phys. 22, 2115 (2020)

47 Bonny Dongre, Jesús Carrete, Shihao Wen, Jinlong Ma,Wu Li, Natalio Mingo, Georg K. H. Madsen, Combined treatment of phonon scattering by electrons and point defects explains the thermal conductivity reduction in highly-doped Si, Journal of Materials Chemistry A 8, 1273(2020)

46 Yani Chen, Peipei Wang, Minghui Wu, Jinlong Ma, Shihao Wen, Xuefeng Wu, Gaomin Li, Yue Zhao, Kedong Wang, Liyuan Zhang, Li Huang,Wu Li, Mingyuan Huang, Raman spectra and dimensional effect on the charge density wave transition in GdTe3, Appl. Phys. Lett. 115, 151905 (2019)

45 Ashis Kundu, Fabian Otte, Jesús Carrete, Paul Erhart,Wu Li, Natalio Mingo, and Georg K. H. Madsen, Effect of local chemistry and structure on thermal transport in doped GaAs, Phys. Rev. Materials 3, 094602 (2019)

44 Yani Chen, Jinlong Ma, Shihao Wen andWu Li*, Body-centered-cubic structure and weak anharmonic phonon scattering in tungsten, npj Computational Materials 5, 98 (2019)

43 Tianqi Deng, Xue Yong, Wen Shi, Chee Kwan Gan,Wu Li, Kedar Hippalgaonkar, Jin-Cheng Zheng, Xiaobai Wang, Shuo-Wang Yang, Jian-Sheng Wang, and Gang Wu*, 2D Single-Layer π-Conjugated Nickel Bis(dithiolene) Complex: A Good-Electron-Poor-Phonon Thermoelectric Material, Adv. Electron. Mater. 5, 1800892(2019)

42 Zahid Rashid, Arun S. Nissimagoudar, andWu Li*, Phonon transport and thermoelectric properties of semiconducting Bi2Te2X (X = S, Se, Te) monolayers, Phys. Chem. Chem. Phys. 21, 5679 (2019)

41 Xiaoli Chen, Pu Huang, Xin Zhu, Suixing Zhuang, Hengcheng Zhu, Jingjing Fu, Arun S. Nissimagoudar,Wu Li, Xiuwen Zhang, Li Zhou, Yan Wang, Ziyu Lv, Ye Zhou* and Su-Ting Han*, Keggin-type polyoxometalate cluster as an active component for redox-based nonvolatile memory, Nanoscale Horizons, (2019)

40 Fanchen Meng, Jinlong Ma, Jian He, andWu Li*, Phonon-limited carrier mobility and temperature-dependent scattering, Phys. Rev. B 99, 045201 (2019)

39 Yani Chen, Jinlong Ma, andWu Li*, Understanding the thermal conductivity and Lorenz number in tungsten from first principles, Phys. Rev. B 99, 020305 (Rapid Communication) (2019)

38 Liyan Zhu,Wu Li, and Feng Ding*, Giant thermal conductivity in diamane and the influence of horizontal reflection symmetry on phonon scattering, Nanoscale, 11, 4248 (2018)

37 Tao Hu, Minmin Hu, Bo Gao,Wu Li*, and Xiaohui Wang*, Screening Surface Structure of MXenes by High-Throughput Computation and Vibrational Spectroscopic Confirmation, J. Phys. Chem. C, 2018, 122 (2018)

36 Dianwei Hou, Arun S Nissimagoudar, Qiang Bian, Kui Wu, Shilie Pan*,Wu Li*, and Zhihua Yang*, Prediction and Characterization of NaGaS2, A High Thermal Conductivity Mid-Infrared Nonlinear Optical Material for High-Power Laser Frequency Conversion, Inorg. Chem. 58, 93 (2019)

35 Jinlong Ma, Yani Chen, andWu Li*, Intrinsic phonon-limited charge carrier mobilities in thermoelectric SnSe, Phys. Rev. B 97, 025207 (2018)

34 Zahid Rashid, Liyan Zhu andWu Li*, Effect of confinement on anharmonic phonon scattering and thermal conductivity in pristine silicon nanowires, Phys. Rev. B 97, 075441 (2018)

33 Xiaolong Yang andWu Li*, Optimizing phonon scattering by tuning surface-interdiffusion-driven intermixing to break the random-alloy limit of thermal conductivity, Phys. Rev. Materials 02, 015401 (2018)

32 Jinlong Ma, Arun Nissimagoudar, andWu Li*, First-principles study of electron and hole mobilities of Si and GaAs, Phys. Rev. B 97, 045201 (2018)

31 Arun Nissimagoudar, Jinlong Ma, Yani Chen, andWu Li*, Thermal transport in monolayer InSe, J. Phys.: Condens. Matter 29, 335702 (2017) Highlights of 2017 Featured Article

30 Wei Lai Liu, Mao Lin Chen, Xiao Xi Li, Sudipta Dubey, Ting Xiong, Zhi Ming Dai, Jun Yin, Wan Lin Guo, Jin Long Ma, Ya Ni Chen, Jun Tan, Da Li, Zhen Hua Wang,Wu Li, Vincent Bouchiat, Dong Ming Sun*, Zheng Han* and Zhi Dong Zhang, Effect of aging-induced disorder on the quantum transport properties of atomically thin WTe2. 2D Mater. 4, 011011(2017)

29 Jinlong Ma, Yani Chen, Zheng Han, andWu Li*, Strong Anisotropic Thermal Conductivity of Monolayer WTe2, 2D Mater. 3, 045010 (2016)

28 Liyan Zhu, Baowen Li, andWu Li*, Phonon transport in silicon nanowires: The reduced group velocity and surface-roughness scattering. Phys. Rev. B 94, 115420 (2016)

27 Yuhao Fu, David Singh,Wu Li*, and Lijun Zhang*, Intrinsic ultralow lattice thermal conductivity of unfilled skutterudite FeSb3. Phys. Rev. B 94, 075122 (2016)

26 Guangqian Ding, Jesús Carrete,Wu Li, G. Y. Gao*, and Kailun Yao, Ultralow lattice thermal conductivity in topological insulator TlBiSe2. Appl. Phys. Lett. 108, 233902 (2016)

25Wu Li*, J. Carrete, G. K. H. Madsen* and N. Mingo*, Influence of the optical-acoustic phonon hybridization on phonon scattering and thermal conductivity. Phys. Rev. B 93, 205203 (2016)

24 J. Carrete,Wu Li, L. Lindsay, D. Broido, L. Gallego, and N. Mingo, Physically founded phonon dispersions of few-layer materials, and the case of borophene. Mater. Res. Lett. 4, 204 (2016)

23 Jinlong Ma,Wu Li*, and Xiaobing Luo*, Intrinsic thermal conductivities and size effect of alloys of wurtzite AlN, GaN and InN from the first-principles. J. Appl. Phys. 119, 125702 (2016)

22 Jinlong Ma,Wu Li*, and Xiaobing Luo*, Ballistic thermal transport of monolayer transition metal dichalcogenides: The role of atomic mass. Appl. Phys. Lett. 108, 082102 (2016)

21Wu Li*, Electrical transport limited by electron-phonon coupling from Boltzmann transport equation: An ab initio study of Si, Al, and MoS2. Phys. Rev. B 92, 075405 (2015)

20Wu Li* and Natalio Mingo, Ultralow lattice thermal conductivity of the fully filled skutterudite YbFe4Sb12 due to the flat avoided-crossing filler modes. Phys. Rev. B 91, 144304 (2015)

19 N. A. Katcho, J. Carrete,Wu Li, and N. Mingo, Effect of nitrogen and vacancy defects on the thermal conductivity of diamond: an ab initio Green’s function approach. Phys. Rev. B 90, 094117 (2014)

18Wu Li* and Natalio Mingo, Lattice dynamics and thermal conductivity of skutterudites CoSb3 and IrSb3 from first principles: Why IrSb3 is a better thermal conductor than CoSb3. Phys. Rev. B 90, 094302 (2014)

17 Jinlong Ma,Wu Li*, and Xiaobing Luo*, Intrinsic thermal conductivity and its anisotropy of wurtzite InN. Appl. Phys. Lett. 105, 082103 (2014)

16 Jinlong Ma,Wu Li*, and Xiaobing Luo*, Examining the Callaway model for lattice thermal conductivity. Phys. Rev. B 90, 035203 (2014)

15Wu Li* and Natalio Mingo*, Thermal conductivity of fully filled skutterudites: Role of the filler. Phys. Rev. B 89, 184304 (2014)

14 L. Lindsay,W. Li, J. Carrete, N. Mingo, D. Broido, and T. Reineche, Phonon thermal transport in strained and unstrained graphene from first principles. Phys. Rev. B 89, 155426 (2014)

13W. Li*, J. Carrete*, N. A. Katcho, and N. Mingo*, ShengBTE: a solver of the Boltzmann transport equation for phonons. Comput. Phys. Commun. 185, 1747 (2014) http://www.shengbte.org/

12 J. Carrete,W. Li, N. Mingo, S. Wang, and S. Curtarolo, Finding Unprecedentedly Low-Thermal-Conductivity Half-Heusler Semiconductors via High-Throughput Materials Modeling. Phys. Rev. X 4, 011019 (2014)

11Wu Li*, Jesus Carrete, and Natalio Mingo*, Thermal conductivity and phonon linewidths of monolayer MoS2 from first principles. Appl. Phys. Lett. 103, 253013 (2013)

10Wu Li, and Natalio Mingo, Thermal conductivity of bulk and nanowire InAs, AlN, and BeO polymorphs from first principles. J. Appl. Phys. 114, 183505 (2013)

9 P. Chen, N. A. Katcho, J. P. Feser,Wu Li, M. Glaser, F. Schäffler, O. G. Schmidt, David. G. Cahill, N. Mingo, A. Rastelli, Role of Surface-Segregation-Driven Intermixing on the Thermal Transport through Planar Si/Ge Superlattices. Phys. Rev. Lett. 111, 115901 (2013)

8Wu Li* and Natalio Mingo*, Alloy enhanced anisotropy in the thermal conductivity of SixGe1-x nanowires. J. Appl. Phys. 114, 054307 (2013)

7Wu Li, L. Lindsay, D. A. Broido, Derek A. Stewart, and Natalio Mingo, Thermal conductivity of bulk and nanowire Mg2SixSn1−x alloys from first principles. Phys. Rev. B 86, 174307 (2012)

6 Carolina Abs da Cruz,Wu Li, Nebil A. Katcho, and Natalio Mingo, Role of phonon anharmonicity in time-domain thermoreflectance measurements. Appl. Phys. Lett. 101, 083108 (2012)

5Wu Li*, Natalio Mingo*, L. Lindsay, D. A. Broido, D. A. Stewart, and N. A. Katcho, Thermal conductivity of diamond nanowires from first principles. Phys. Rev. B 85, 195436 (2012)

4 H. Sevinçli#,W. Li#, N. Mingo, G. Cuniberti, and S. Roche, Effects of domains in phonon conduction through hybrid boron nitride and graphene sheets. Phys. Rev. B 84, 205444 (2011) (#The first two authors contributed equally and share first authorship of this work.)

3W. Li, H. Sevinçli, S. Roche, and G. Cuniberti, Efficient Linear Scaling method for computing the Phonon Thermal Conductivity. Phys. Rev. B 83, 155416 (2011) (Selected as Editors’ Suggestion)

2W. Li, H. Sevinçli, G. Cuniberti, and S. Roche, Phonon transport in large scale carbon-based disordered materials: Implementation of an efficient order-N and real-space Kubo methodology. Phys. Rev. B 82, 041410 (Rapid Communication) (2010)

1 D. Nozaki, H. Sevinçli,W. Li, R. Gutierrez, and G. Cuniberti, Engineering the figure of merit and thermopower in single-molecule devices connected to semiconducting electrodes. Phys. Rev. B 81, 235406 (2010)

Book chapters:

3 Wu Li*, Transport Calculation from Boltzmann Equation in “Thermal Transport in Nanomaterials”, Wenhui Duan and Gang Zhang (Editors), Science Press China (in Chinese) (2017)

2 N. Mingo, D. A. Stewart, D. A. Broido, L. Lindsay, and W. Li, Ab-initio Thermal Transport in “Length-Scale Dependent Phonon Interactions”, S. L. Shinde, G. P. Srivastava (Editors), Springer (2014)

1 C. G. Rocha, M. H. Rümmeli, I. Ibrahim, H. Sevincli, F. Börrnert, J. Kunstmann, A. Bachmatiuk, M. Pötschke, W. Li, S. A. M. Makharza, S. Roche, B. Büchner, G. Cuniberti, Tailoring the physical properties of graphene in "Graphene: Synthesis and Applications", W. Choi, J-W. Lee (Editors), CRC Press (2011).