2021-2022

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, published online (2022)

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, published online (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://www.pnas.org/content/pnas/118/20/e2022109118.full.pdf

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