Publications

40. J. L. Bao,* B. K. Welch, I. S. Ulusoy, X. Zhang, X. Xu, A. K. Wilson,* and D. G. Truhlar,* "Predicting Bond Dissociation Energies and Bond Lengths of Coordinatively Unsaturated Vanadium–Ligand Bonds", The Journal of Physical Chemistry A, 124, 9757–9770 (2020). 

https://pubs.acs.org/doi/abs/10.1021/acs.jpca.0c06519

​

39. S. Yuan, J. L. Bao, N. Wang, X. Zhang, Y. Wang, D. G. Truhlar, and Y. Xia, "Salt-Rich Solid Electrolyte Interphase for Safer High-Energy-Density Li Metal Batteries with Limited Li Excess", Chemical Communications, 56, 8257-8260 (2020) 

https://pubs.rsc.org/en/content/articlelanding/2020/cc/d0cc02481c

​

38. H. Robatjazi, J. L. Bao, M. Zhang, L. Zhou, P. Christopher, E. A. Carter, P. Nordlander, and N. J. Halas, "Plasmon-Driven Carbon-Fluorine (C(sp³)-F) Bond Activation with Mechanistic Insights into Hot-Carrier-Mediated Pathways", Nature Catalysis, 3, 564–573 (2020)

https://www.nature.com/articles/s41929-020-0466-5

​

37. J. L. Bao and E. A. Carter, "Rationalizing the Hot-Carrier-Mediated Reaction Mechanisms and Kinetics for Ammonia Decomposition on Ruthenium-Doped Copper Nanoparticles", Journal of the American Chemical Society, 141, 13320–13323 (2019)

https://pubs.acs.org/doi/abs/10.1021/jacs.9b06804

 

36. J. L. Bao and E. A. Carter, "Surface-Plasmon-Induced Ammonia Decomposition on Copper: Excited-State Reaction Pathways Revealed by Embedded Correlated Wavefunction Theory", ACS Nano, 13, 9944–9957 (2019)

https://pubs.acs.org/doi/abs/10.1021/acsnano.9b05030

 

35. S. Yuan, J. L. Bao, J. Wei, Y. Xia, D. G. Truhlar, and Y. Wang, "A Versatile Single-Ion Electrolyte with a Grotthuss-Like Li Conduction Mechanism for Dendrite-Free Li Metal Batteries", Energy & Environmental Science, 12, 2741–2750 (2019)

https://pubs.rsc.org/en/content/articlehtml/2019/ee/c9ee01473j

 

34. B. Long,* J. L. Bao (co-corresponding author),* and D. G. Truhlar,* "Rapid Unimolecular Reaction of Stabilized Criegee Intermediates and Implications for Atmospheric Chemistry", Nature Communication, 10, 2003-1–8 (2019)

https://www.nature.com/articles/s41467-019-09948-7

Note: This paper is featured as part of the themed collection for computational chemistry by Nature Communication:

https://www.nature.com/collections/gcijejjahe

​

33. S. Yuan, J. L. Bao, Y. Xia, D. G. Truhlar, and Y. Wang, "Dual Lithophilic Structure for Uniform Lithium Deposition", ACS Applied Materials & Interfaces, 11, 10616–10623 (2019)

https://pubs.acs.org/doi/abs/10.1021/acsami.8b19654

 

32. B. Long, J. L. Bao, and D. G. Truhlar, "Kinetics of the Strongly Correlated CH₃O + O₂ Reaction: The Importance of Quadruple Excitations in Atmospheric and Combustion Chemistry", Journal of the American Chemical Society, 141, 611–617 (2019)

https://pubs.acs.org/doi/abs/10.1021/jacs.8b11766

 

31. L. Xing,† J. L. Bao (co-first author),† Z. Wang, X. Wang, and D. G. Truhlar, "Relative Rates of Hydrogen Shift Isomerizations Depend Strongly on Multiple-Structure Anharmonicity", Journal of the American Chemical Society, 140, 17556–17570 (2018)

https://pubs.acs.org/doi/abs/10.1021/jacs.8b09381 

​

30. J. L. Bao and D. G. Truhlar, "Effect of Energy Dependence of the Density of States on Pressure-Dependent Rate Constants", Physical Chemistry Chemical Physics, 20, 30475–30479 (2018)

https://pubs.rsc.org/en/content/articlehtml/2018/cp/c8cp05915b

 

29. Y. Shu, S. S. Dong, K. A. Parker, J. L. Bao, L. Zhang, and D. G. Truhlar, "Extended Hamiltonian Molecular Dynamics: Semiclassical Trajectories with Improved Maintenance of Zero Point Energy", Physical Chemistry Chemical Physics, 20, 30209–30218 (2018)

https://pubs.rsc.org/en/content/articlehtml/2018/cp/c8cp04914a

 

28. J. L. Bao, P. Verma, and D. G. Truhlar, "How Well Can Density Functional Theory and Pair-Density Functional Theory Predict the Correct Atomic Charges for Dissociation and Accurate Dissociation Energetics of Ionic Bonds?", Physical Chemistry Chemical Physics, 20, 23072–23078 (2018)

https://pubs.rsc.org/en/content/articlehtml/2018/cp/c8cp04280b

 

27. L. Xing,† J. L. Bao (co-first author),† Z. Wang, X. Wang, and D. G. Truhlar, "Hydrogen Shift Isomerizations in the Kinetics of the Second Oxidation Mechanism of Alkane Combustion. Reactions of the Hydroperoxypentylperoxy OOQOOH Radical", Combustion and Flame, 197, 88–101 (2018)

https://www.sciencedirect.com/science/article/pii/S0010218018303377

 

26. B. Long, J. L. Bao, and D. G. Truhlar, "Unimolecular Reaction of Acetone Oxide and Its Reaction with Water in the Atmosphere", Proceedings of the National Academy of Sciences U.S.A., 115, 6135–6140 (2018)

https://www.pnas.org/content/115/24/6135.short

 

25. J. L. Bao, L. Gagliardi, and D. G. Truhlar, "Self-Interaction Error in Density Functional Theory: An Appraisal", The Journal of Physical Chemistry Letters, 9, 2353–2358 (2018)

https://pubs.acs.org/doi/abs/10.1021/acs.jpclett.8b00242

 

24. S.-X. Hu, W.-L. Li, J.-B. Lu, J. L. Bao, H. S. Yu, D. G. Truhlar, J. K. Gibson, J. Marcalo, M. Zhou, S. Riedel, W. H. E. Schwarz, and J. Li, “On Upper Limits of Oxidation-States in Chemistry”, Angewandte Chemie International Edition, 57, 3242–3245 (2018)

https://onlinelibrary.wiley.com/doi/full/10.1002/anie.201711450

 

23. J. L. Bao and D. G. Truhlar, "Variational Transition State Theory: Theoretical Framework and Recent Developments", Chemical Society Review, 46, 7548–7596 (2017)

https://pubs.rsc.org/en/content/articlehtml/2017/cs/c7cs00602k

Note: This review is selected as part of the themed collection "Chemical reaction dynamics" by RSC:

https://pubs.rsc.org/no/journals/articlecollectionlanding?sercode=cs&themeid=6140b7fc-754c-4dd6-b7ae-2cca0802adf5 

​

22. J. L. Bao, Y. Wang, X. He, L. Gagliardi, and D. G. Truhlar, "Multiconfiguration Pair-Density Functional Theory Is Free from Delocalization Error", The Journal of Physical Chemistry Letters, 8, 5616–5620 (2017)

https://pubs.acs.org/doi/abs/10.1021/acs.jpclett.7b02705

 

21. L. Xing, J. L. Bao (co-corresponding author),* Z. Wang, F. Zhang,* and D. G. Truhlar,* "Degradation of Carbonyl Hydroperoxides in the Atmosphere and in Combustion", Journal of the American Chemical Society, 139, 15821–15835 (2017)

https://pubs.acs.org/doi/abs/10.1021/jacs.7b08297 

​

20. L. Simon-Carballido, J. L. Bao, T. V. Alves, R. Meana-Pañeda, D. G. Truhlar, and A. Fernandez-Ramos, "Anharmonicity of Coupled Torsions: The Extended Two-Dimensional Torsion Method and Its Use to Assess More Approximate Methods", Journal of Chemical Theory and Computation, 13, 3478–3492 (2017)

https://pubs.acs.org/doi/abs/10.1021/acs.jctc.7b00451

 

19. J. L. Bao, L. Xing, and D. G. Truhlar, "Dual-Level Method for Estimating Multi-Structural Partition Functions with Torsional Anharmonicity", Journal of Chemical Theory and Computation, 13, 2511–2522 (2017)

https://pubs.acs.org/doi/abs/10.1021/acs.jctc.7b00232

 

18. L. Chen, J. L. Bao, X. Dong, D. G. Truhlar, Y. Wang, C. Wang, and Y. Xia, "Aqueous Mg-Ion Battery Based on Polyimide Anode and Prussian Blue Cathode", ACS Energy Letters, 2, 1115–1121 (2017)

https://pubs.acs.org/doi/abs/10.1021/acsenergylett.7b00040

 

17. B. Long,† J. L. Bao (co-first author),† and D. G. Truhlar, "Reaction of SO₂ with OH in the Atmosphere", Physical Chemistry Chemical Physics, 19, 8091–8100 (2017) 

https://pubs.rsc.org/en/content/articlehtml/2017/cp/c7cp00497d

 

16. J. L. Bao, X. Zhang, X. Xu, and D. G. Truhlar, "Predicting Bond Dissociation Energy and Bond Length for Bimetallic Diatomic Molecules: A Challenge for Electronic Structure Theory", Physical Chemistry Chemical Physics, 19, 5839–5854 (2017)

https://pubs.rsc.org/en/content/articlehtml/2017/cp/c6cp08896a

 

15. X. Dong, H. Yu, Y. Ma, J. L. Bao, D. G. Truhlar, Y. Wang, and Y. Xia, "All-Organic Rechargeable Battery with Reversibility Supported by "Water-in-Salt" Electrolyte", Chemistry-A European Journal, 23, 2560–2565 (2017)

https://onlinelibrary.wiley.com/doi/full/10.1002/chem.201700063

 

14. J. L. Bao, S. O. Odoh, L. Gagliardi, and D. G. Truhlar, "Predicting Bond Dissociation Energies of Transition Metal Compounds by Multiconfiguration Pair-Density Functional Theory and Second-Order Perturbation Theory Based on Correlated Participating Orbitals and Separated Pairs", Journal of Chemical Theory and Computation, 13, 616–626 (2017)

https://pubs.acs.org/doi/abs/10.1021/acs.jctc.6b01102

Note: This paper is featured in a virtual issue of the Journal of Chemical Theory and Computation honoring Prof. Truhlar, the Truhlar group and collaborators: https://pubs.acs.org/page/jctcce/vi/truhlar.html

​

13. L. Gagliardi, D. G. Truhlar, G. Li Manni, R. K. Carlson, C. E. Hoyer, and J. L. Bao, "Multiconfiguration Pair-Density Functional Theory: A New Way to Treat Strongly Correlated Systems", Accounts of Chemical Research, 50, 66–73 (2017)

https://pubs.acs.org/doi/abs/10.1021/acs.accounts.6b00471

 

12. J. L. Bao, X. Zhang, and D. G. Truhlar, "Barrierless Association of CF₂ and Dissociation of C₂F₄ by Variational Transition-State Theory and System-Specific Quantum Rice–Ramsperger–Kassel Theory", Proceedings of the National Academy of Sciences U.S.A., 113, 13606–13611 (2016)

https://www.pnas.org/content/113/48/13606.short

 

11. B. Long, J. L. Bao, and D. G. Truhlar, "Atmospheric Chemistry of Criegee Intermediates: Unimolecular Reactions and Reactions with Water", Journal of the American Chemical Society, 138, 14409–14422 (2016)

https://pubs.acs.org/doi/abs/10.1021/jacs.6b08655

 

10. J. L. Bao, A. Sand, L. Gagliardi, and D. G. Truhlar, "Correlated-Participating-Orbitals Pair-Density Functional Method and Application to Multiplet Energy Splittings of Main-Group Divalent Radicals", Journal of Chemical Theory and Computation, 12, 4274–4283 (2016)

https://pubs.acs.org/doi/abs/10.1021/acs.jctc.6b00569

 

9. J. L. Bao, X. Zhang, and D. G. Truhlar, "Predicting Pressure-Dependent Unimolecular Rate Constants Using Variational Transition State Theory with Multidimensional Tunneling Combined with System-Specific Quantum RRK Theory: A Definitive Test for Fluoroform Dissociation", Physical Chemistry Chemical Physics, 18, 16659–16670 (2016)

https://pubs.rsc.org/en/content/articlehtml/2016/cp/c6cp02765b

 

8. J. L. Bao and D. G. Truhlar, "Silane-Initiated Nucleation in Chemically Active Plasma: Validation of Density Functionals, Mechanisms, and Pressure-Dependent Variational Transition State Calculations", Physical Chemistry Chemical Physics, 18, 10097–10108 (2016)

https://pubs.rsc.org/en/content/articlehtml/2016/cp/c6cp00816j

 

7. J. L. Bao, J. Zheng, and D. G. Truhlar, "Kinetics of Hydrogen Radical Reactions with Toluene Including Chemical Activation Theory Employing System-Specific Quantum RRK Theory Calibrated by Variational Transition State Theory", Journal of the American Chemical Society, 138, 2690–2704 (2016)

https://pubs.acs.org/doi/abs/10.1021/jacs.5b11938

 

6. J. L. Bao, P. Sripa, and D. G. Truhlar, "Path-Dependent Variational Effects and Multidimensional Tunneling in Multi-Path Variational Transition State Theory: Rate Constants Calculated for the Reactions of HO₂ with Tert-Butanol by Including All 46 Paths for Abstraction at C and All Six Paths for Abstraction at O", Physical Chemistry Chemical Physics, 18, 1032–1041 (2016)

https://pubs.rsc.org/en/content/articlehtml/2016/cp/c5cp05780a

 

5. S. Yuan, J. L. Bao, L. Wang, Y. Xia, D. G. Truhlar, and Y. Wang, "Graphene-Supported Nitrogen and Boron Rich Carbon Layer for Improved Performance of Lithium-Sulfur Batteries Due to Enhanced Chemisorption of Lithium Polysulfides", Advanced Energy Materials, 6, 1501733 (2016)

https://onlinelibrary.wiley.com/doi/full/10.1002/aenm.201501733

 

4. A. Galano, L. Muñoz-Rugeles, J. R. Alvarez-Idaboy, J. L. Bao, and D. G. Truhlar, "Hydrogen Abstraction Reactions from Phenolic Compounds by Peroxyl Radicals: Multireference Character and Density Functional Theory Rate Constants", The Journal of Physical Chemistry A, 120, 4634–4642 (2016)

https://pubs.acs.org/doi/abs/10.1021/acs.jpca.5b07662

 

3. J. L. Bao, R. Meana-Pañeda, and D. G. Truhlar, "Multi-Path Variational Transition State Theory for Chiral Molecules: The Site-Dependent Kinetics for Abstraction of Hydrogen From 2-Butanol by Hydroperoxyl Radical, Analysis of Hydrogen Bonding in the Transition State, and Dramatic Temperature Dependence of the Activation Energy", Chemical Science, 6, 5866–5881 (2015)

https://pubs.rsc.org/en/content/articlehtml/2015/sc/c5sc01848j

 

2. J. L. Bao, P. Seal, and D. G. Truhlar, “Nanodusty Plasma Chemistry: A Mechanistic and Variational Transition State Theory Study of the Initial Steps of Silyl Anion–silane and Silylene Anion–silane Polymerization Reactions”, Physical Chemistry Chemical Physics, 17, 15928–15935 (2015)

https://pubs.rsc.org/en/content/articlehtml/2015/cp/c5cp01979f

 

1. J. L. Bao, H. S. Yu, K. Duanmu, M. A. Makeev, X. Xu, and D. G. Truhlar, "Density Functional Theory of the Water Splitting Reaction on Fe(0): Comparison of Local and Nonlocal Correlation Functionals", ACS Catalysis, 5, 2070–2080 (2015)

https://pubs.acs.org/doi/abs/10.1021/cs501675t

65. M. Zhong, Y. Wang, Y. Xie, S. Yuan, K. Ding, E. J. Begin, Y. Zhang, J. L. Bao,* and Y. Wang,* “Zinc-Coordinated Imidazole-Based Ionic Liquid as Liquid Salt for All-Temperature Aqueous Zinc-Ion Batteries”, Advanced Functional Materials, under review (2023)

​

64. C. Teng, D. Huang, E. Donahue, and J. L. Bao,* “Exploring Torsional Conformer Space with Physical Prior Mean Function-Driven Meta-Gaussian Processes”, The Journal of Chemical Physics, 159, 214111 (2023)

https://doi.org/10.1063/5.0176709

​

63. K. Ding, E. J. Begin, S. Yuan, M. Zhong, Y. Wang, Y. Zhang, X. Zeng, J. L. Bao,* and Y. Wang,* “Boosting Fast-Charging Capability of High-Voltage Li Metal Batteries with Ionic Liquid Modified Ethereal Electrolyte”, Advanced Energy Materials, 13, 2302443 (2023)

https://doi.org/10.1002/aenm.202302443

​

62. T. Luo, Y. Wang, B. Elander, M. Goldstein, Y. Mu, J. Wilkes, M. Fahrenbruch, J. Lee, T. Li, J. L. Bao,* U. Mohanty,* and D. Wang,* “Polysulfides in Magnesium-Sulfur Batteries”, Advanced Materials, 2306239, (2023)

https://doi.org/10.1002/adma.202306239

 

61. R. Meana-Pañeda, J. Zheng, J. L. Bao, S. Zhang, B. J. Lynch, J. C. Corchado, Y.-Y. Chuang, P. L. Fast, W.-P. Hu, Y.-P. Liu, G. C. Lynch, K. A. Nguyen, C. F. Jackels, A. Fernández-Ramos, B. A. Ellingson, V. S. Melissas, J. Villà, I. Rossi, E. L. Coitiño, J. Pu, T. V. Albu, R. Zhang, X. Xu, A. Ratkiewicz, R. Steckler, B. C. Garrett, A. D. Isaacson, and D. G. Truhlar, “Polyrate 2023: A Computer Program for the Calculation of Chemical Reaction Rates for Polyatomics. New Version Announcement”, Computer Physics Communications, 294, 108933 (2023) 

https://www.sciencedirect.com/science/article/abs/pii/S0010465523002783

​

60. W. Chen, J. Zheng, J. L. Bao, D. G. Truhlar, X. Xu, “MSTor 2023: A New Version of the Computer Code for Multistructural Torsional Anharmonicity, Now with Automatic Torsional Identification Using Redundant Internal Coordinates”, Computer Physics Communications, 288, 108740 (2023) 

https://www.sciencedirect.com/science/article/pii/S0010465523000851?via%3Dihub

​

59. Y. Wang, T. Luo, B. Elander, Y. Mu, D. Wang, U. Mohanty, and J. L. Bao,* "Characterizing Grain Boundary Effects on Mg²⁺ Conduction in Metal-Organic Frameworks", ACS Applied Materials & Interfaces, 15, 21659 (2023)

https://doi.org/10.1021/acsami.3c02329 

​

58. C. Teng, D. Huang, and J. L. Bao,* "A Spur to Molecular Geometry Optimization: Gradient-Enhanced Universal Kriging with On-the-Fly Adaptive Ab Initio Prior Mean Functions in Curvilinear Coordinates", The Journal of Chemical Physics, 158, 024112 (2023) 

https://aip.scitation.org/doi/10.1063/5.0133675

Note: This work is featured in the highly selective 2022 JCP Emerging Investigators Special Collection. 

​

57. X. Yao, J. Wang, S. Lin, C. Tao, X. Zhang, W. Wang, C. Zhao, L. Wang,* J. L. Bao,* Y. Wang,* and T. Liu, "Surface Bromination of Lithium-Metal Anode for High Cyclic Efficiency", Advanced Energy Materials, 13, 2203233 (2023)

https://onlinelibrary.wiley.com/doi/abs/10.1002/aenm.202203233

 

56. Y. Yuan, L. Zhou, H. Robatjazi, J. L. Bao, J. Zhou, A. Bayles, L. Yuan, M. Lou, M. Lou, S. Khatiwada, E. A. Carter, P. Nordlander, N. J. Halas, "Earth-Abundant Photocatalyst for H₂ Generation from NH₃ with Light-Emitting Diode Illumination", Science, 378, 889-893 (2022)

https://www.science.org/doi/10.1126/science.abn5636

​

55. M. Lou, J. L. Bao, L. Zhou, G. N. Naidu, H. Robatjazi, A. I. Bayles, H. O. Everitt, P. Nordlander, E. A. Carter, N. J. Halas, "Direct H₂S Decomposition by Plasmonic Photocatalysis: Efficient Remediation plus Sustainable Hydrogen Production", ACS Energy Letters, 7, 3666−3674 (2022)​

https://pubs.acs.org/doi/full/10.1021/acsenergylett.2c01755

​

54. C. Teng, Y. Wang, D. Huang, K. Martin, J.-B. Tristan, and J. L. Bao,* "Dual-Level Training of Gaussian Processes with Physically Inspired Priors for Geometry Optimizations", Journal of Chemical Theory and Computation, 18, 5739−5754 (2022)

https://doi.org/10.1021/acs.jctc.2c00546

​

53. S. Lin, J.-B. Tristan, Y. Wang, and J. L. Bao,* "Dry Reforming of Methane on Doped Ni Nanoparticle: Feature-Assisted Optimizations and Ranking of Doping Metals for Direct Activations of CH₄ and CO₂", Nano Research, 15, 9670–9682 (2022)

https://link.springer.com/content/pdf/10.1007/s12274-022-4582-1.pdf

​

52. B. Long, Y. Xia, J. L. Bao, J. Carmona-García, J. C. Gómez Martín, J. M. C. Plane, A. Saiz-Lopez, D. Roca-Sanjuán, and J. S. Francisco, "Reaction of SO₃ with HONO₂ and Implications for Sulfur Partitioning in the Atmosphere", Journal of the American Chemical Society, 144, 9172–9177 (2022)

https://pubs.acs.org/doi/abs/10.1021/jacs.2c03499

 

51. D. Huang, J. L. Bao,* and J.-B. Tristan,* "Geometry Meta-Optimization", The Journal of Chemical Physics, 156, 134109 (2022)

https://aip.scitation.org/doi/abs/10.1063/5.0087165

​

50. Y. Xia, B. Long, S. Lin, C. Teng, J. L. Bao,* and D. G. Truhlar,* "Large Pressure Effects Caused by Internal Rotation in the s-cis-syn-Acrolein Stabilized Criegee Intermediate at Tropospheric Temperature and Pressure", Journal of the American Chemical Society, 144, 4828–4838 (2022)

https://pubs.acs.org/doi/abs/10.1021/jacs.1c12324

​

49. D. Huang, C. Teng, J. L. Bao,* and J.-B. Tristan,* "mad-GP: Automatic Differentiation of Gaussian Processes for Molecules and Materials", Journal of Mathematical Chemistry, 60, 969–1000 (2022)

https://link.springer.com/article/10.1007/s10910-022-01334-x

​

48. C. Fu, S. Lin, C. Zhao, J. Wang, L. Wang,* J. L. Bao,* Y. Wang, and T. Liu,* "Li Migration, Nucleation and Growth Behavior Regulated by a Lithiophilic Cobalt Phosphide-Doped Carbon Nanofibers Derived Ion/Electron Conductive Framework", Energy Storage Materials, 45, 1109–1119 (2022) 

https://doi.org/10.1016/j.ensm.2021.11.009

​

47. S. Lin, C. Teng, and J. L. Bao,* "CO₂ Adsorptions on d-Block-Metal-Doped Nickel Nanoparticles: Unexpected Adsorption Configurations Predicted by Machine Intelligence", The Journal of Physical Chemistry C, 125, 19839−19846 (2021)

https://pubs.acs.org/doi/full/10.1021/acs.jpcc.1c07133

​

46. Y. Wang, T. Luo, Y. Li, A. Wang, D. Wang, J. L. Bao,* U. Mohanty,* and C.-K. Tsung* "Molecular-Level Insights into Selective Transport of Mg²⁺ in Metal-Organic Frameworks", ACS Applied Materials & Interfaces, 13, 51974–51987 (2021)

https://pubs.acs.org/doi/abs/10.1021/acsami.1c08392

​

45. B. Long, Y. Wang, Y. Xia, X. He, J. L. Bao,* and D. G. Truhlar,* "Atmospheric Kinetics: Bimolecular Reactions of Carbonyl Oxide by a Triple-Level Strategy", Journal of the American Chemical Society, 143, 8402−8413 (2021)

https://pubs.acs.org/doi/abs/10.1021/jacs.1c02029

​

44. H. Zhang, J. Luo, M. Qi, S. Lin, Q. Dong, H. Li, N. Dulock, C. Povinelli, N. Wong, W. Fan, J. L. Bao, and D. Wang, "Enabling Lithium Metal Anode in Nonflammable Phosphate Electrolyte with Electrochemically Induced Chemical Reactions", Angewandte Chemie International Edition, 60, 2–10 (2021)

https://onlinelibrary.wiley.com/doi/epdf/10.1002/anie.202103909

​

43. L. Zhou, M. Lou,† J. L. Bao (equal contribution),† C. Zhang, J. G. Liu, J. M. P. Martirez, S. Tian, L. Yuan, D. F. Swearer, H. Robatjazi, E. A. Carter, P. Nordlander, and N. J. Halas, "Hot Carrier Multiplication in Plasmonic Photocatalysis", Proceedings of the National Academy of Sciences U.S.A., 118, e2022109118 (2021)

https://doi.org/10.1073/pnas.2022109118

​

42. S. Yuan, S. Weng, F. Wang, X. Dong, Y. Wang, Z. Wang, C. Shen,* J. L. Bao,* X. Wang,*  and Y. Xia,*  "Revisiting the Designing Criteria of Advanced Solid Electrolyte Interphase on Lithium Metal Anode under Practical Condition", Nano Energy, 83, 105847 (2021). 

https://www.sciencedirect.com/science/article/pii/S2211285521001051

https://doi.org/10.1016/j.nanoen.2021.105847

​

41. J. M. P. Martirez, J. L. Bao, and E. A. Carter, "First-Principles Insights into Plasmon-Induced Catalysis", Annual Review of Physical Chemistry, 72, 99–119 (2021).

https://www.annualreviews.org/doi/abs/10.1146/annurev-physchem-061020-053501

 

2022

2021

Back To Top