References
- A.A. Herzing, C.J. Kiely, A.F. Carley, P. Landon and G.J. Hutchings, Science. 321, 1331–1335 (2008). doi:10.1126/science.1159639.
- B.K. Min and C.M. Friend, Chem. Rev. 107, 2709–2724 (2007). doi:10.1021/cr050954d.
- J. Brindle and M.M. Nigra, ACS Omega. 6, 24269–24279 (2021). doi:10.1021/acsomega.1c04236.
- M.A. Dar and S. Krishnamurty, ACS Omega. 4, 12687–12695 (2019). doi:10.1021/acsomega.9b01581.
- N. Biswakarma, P.J. Sarma, S.D. Baruah, N.K. Gour and R.C. Deka, J. Phys. Chem. C. 124, 3059–3068 (2020). doi:10.1021/acs.jpcc.9b09726.
- J. Ma, X. Cao, H. Liu, B. Yin and X. Xing, Phys. Chem. Chem. Phys. 18, 12819–12827 (2016). doi:10.1039/C6CP01156J.
- S. Nigam and C. Majumder, Appl. Surf. Sci. 547, 149160 (2021). doi:10.1016/j.apsusc.2021.149160.
- M. Comotti, C. Della Pina, R. Matarrese and M. Rossi, Angew. Chem. Int. Ed. 43, 5812–5815 (2004). doi:10.1002/anie.200460446.
- Y. Gao, N. Shao, Y. Pei, Z. Chen and X.C. Zeng, ACS Nano. 5, 7818–7829 (2011). doi:10.1021/nn201817b.
- M. Gao, D. Horita, Y. Ono, A. Lyalin, S. Maeda and T. Taketsugu, J. Phys. Chem. C. 121, 2661–2668 (2017). doi:10.1021/acs.jpcc.6b09919.
- R. Pal, L.-M. Wang, Y. Pei, L.-S. Wang and X.C. Zeng, J. Am. Chem. Soc. 134, 9438–9445 (2012). doi:10.1021/ja302902p.
- N.S. Khetrapal, D. Deibert, R. Pal, L.F. Cheung, L.-S. Wang and X.C. Zeng, J. Phys. Chem. Lett. 12, 3560–3570 (2021). doi:10.1021/acs.jpclett.1c00546.
- L. Huang, W. Liu, J. Hu and X. Xing, J. Phys. Chem. A. 125, 9995–10005 (2021). doi:10.1021/acs.jpca.1c06507.
- H.X. Shi, W.G. Sun, X.Y. Kuang, C. Lu, X.X. Xia, B.L. Chen and A. Hermann, J. Phys. Chem. C. 121, 24886–24893 (2017). doi:10.1021/acs.jpcc.7b09022.
- P. Hohenberg and W. Kohn, Phys. Rev. 136, B864–B871 (1964). doi:10.1103/PhysRev.136.B864.
- T. Ito, G.N. Patwari, M. Arakawa and A. Terasaki, J. Phys. Chem. A. 118, 8293–8297 (2014). doi:10.1021/jp501111f.
- S.M. Lang, T.M. Bernhardt, R.N. Barnett, B. Yoon and U. Landman, J. Am. Chem. Soc. 131, 8939–8951 (2009). doi:10.1021/ja9022368.
- C.-Y. Mang, C.-P. Liu and K.-C. Wu, Mol. Phys. 119, e1812744 (2021). doi:10.1080/00268976.2020.1812744.
- A.P. Woodham and A. Fielicke, Angew. Chem. Int. Ed. 53, 6554–6557 (2014). doi:10.1002/anie.201402783.
- E.M. Cunningham, A.S. Gentleman, P.W. Beardsmore, A. Iskra and S.R. Mackenzie, J. Phys. Chem. A. 121, 7565–7571 (2017). doi:10.1021/acs.jpca.7b07628.
- J. Velasquez, B. Njegic, M.S. Gordon and M.A. Duncan, J. Phys. Chem. A. 112, 1907–1913 (2008). doi:10.1021/jp711099u.
- Y. Li, G. Wang, C. Wang and M. Zhou, J. Phys. Chem. A. 116, 10793–10801 (2012). doi:10.1021/jp3094963.
- Y. Li, L. Wang, H. Qu, G. Wang and M. Zhou, J. Phys. Chem. A. 119, 3577–3586 (2015). doi:10.1021/acs.jpca.5b00747.
- T.B. Ward, A.D. Brathwaite and M.A. Duncan, Top. Catal. 61, 49–61 (2018). doi:10.1007/s11244-017-0859-0.
- A.S. Gentleman, A.E. Green, D.R. Price, E.M. Cunningham, A. Iskra and S.R. Mackenzie, Top. Catal. 61, 81–91 (2018). doi:10.1007/s11244-017-0868-z
- A.E. Green, S. Schaller, G. Meizyte, B.J. Rhodes, S.P. Kealy, A.S. Gentleman, W. Schöllkopf, A. Fielicke and S.R. Mackenzie, J. Phys. Chem. A. 124, 5389–5401 (2020). doi:10.1021/acs.jpca.0c03813.
- A.E. Green, A.S. Gentleman, W. Schöllkopf, A. Fielicke and S.R. Mackenzie, Phys. Rev. Lett. 127, 033002 (2021). doi:10.1103/PhysRevLett.127.033002.
- Y. Tawada, T. Tsuneda, S. Yanagisawa, T. Yanai and K. Hirao, J. Chem. Phys. 120, 8425–8433 (2004). doi:10.1063/1.1688752.
- O.A. Vydrov and G.E. Scuseria, J. Chem. Phys. 125, 234109 (2006). doi:10.1063/1.2409292.
- O.A. Vydrov, J. Heyd, A.V. Krukau and G.E. Scuseria, J. Chem. Phys. 125, 074106 (2006). doi:10.1063/1.2244560.
- O.A. Vydrov, G.E. Scuseria and J.P. Perdew, J. Chem. Phys. 126, 154109 (2007). doi:10.1063/1.2723119.
- F. Weigend and R. Ahlrichs, Phys. Chem. Chem. Phys. 7, 3297–3305 (2005). doi:10.1039/b508541a.
- T. Yanai, D.P. Tew and N.C. Handy, Chem. Phys. Lett. 393, 51–57 (2004). doi:10.1016/j.cplett.2004.06.011.
- B.P. Pritchard, D. Altarawy, B. Didier, T.D. Gibson and T.L. Windus, J. Chem. Inf. Model. 59, 4814–4820 (2019). doi:10.1021/acs.jcim.9b00725.
- D. Feller, J. Comput. Chem. 17, 1571–1586 (1996). doi:10.1002/(SICI)1096-987X(199610)17:13<1571::AID-JCC9>3.0.CO;2-P
- K.L. Schuchardt, B.T. Didier, T. Elsethagen, L. Sun, V. Gurumoorthi, J. Chase, J. Li and T.L. Windus, J. Chem. Inf. Model. 47, 1045–1052 (2007). doi:10.1021/ci600510j.
- P. Fuentealba, H. Stoll, L.V. Szentpaly, P. Schwerdtfeger and H. Preuss, J. Phys. B: At. Mol. Phys. 16, L323–L328 (1983). doi:10.1088/0022-3700/16/11/001.
- P. Schwerdtfeger, M. Dolg, W.H.E. Schwarz, G.A. Bowmaker and P.D.W. Boyd, J. Chem. Phys. 91, 1762–1774 (1989). doi:10.1063/1.457082.
- M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, G.A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A.V. Marenich, J. Bloino, B.G. Janesko, R. Gomperts, B. Mennucci, H.P. Hratchian, J.V. Ortiz, A.F. Izmaylov, J.L. Sonnenberg, D. Williams-Young, F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, T. Henderson, D. Ranasinghe, V.G. Zakrzewski, J. Gao, N. Rega, G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, K. Throssell, J.A. Montgomery Jr., J.E. Peralta, F. Ogliaro, M.J. Bearpark, J.J. Heyd, E.N. Brothers, K.N. Kudin, V.N. Staroverov, T.A. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A.P. Rendell, J.C. Burant, S.S. Iyengar, J. Tomasi, M. Cossi, J.M. Millam, M. Klene, C. Adamo, R. Cammi, J.W. Ochterski, R.L. Martin, K. Morokuma, O. Farkas, J.B. Foresman, and D.J. Fox, Gaussian 16W, Revision C.01, Gaussian, Inc., Wallingford CT, 2019.
- J.S. Andrews, D. Jayatilaka, R.G.A. Bone, N.C. Handy and R.D. Amos, Chem. Phys. Lett. 183, 423–431 (1991). doi:10.1016/0009-2614(91)90405-X.
- P.K. Nandi, T. Kar and A.B. Sannigrahi, J. Mol. Struct. Theochem. 362, 69–75 (1996). doi:10.1016/0166-1280(95)04382-9
- P.K. Chattaraj, D.R. Roy, M. Elango and V. Subramanian, J. Phys. Chem. A. 109, 9590–9597 (2005). doi:10.1021/jp0540196.
- C.-Y. Mang, X. Zhao, L.-X. He, C.-P. Liu and K.-C. Wu, J. Phys. Chem. A. 112, 1661–1665 (2008). doi:10.1021/jp076770f.
- S. Silb, P. Weis, F. Furche, R. Ahlrichs and M.M. Keppes, J. Chem. Phys. 116, 4094 (2002). doi:10.1063/1.1445121.
- X. Ding, Z. Li, J. Yang, J.G. Hou and Q. Zhu, J. Chem. Phys. 120, 9594 (2004). doi:10.1063/1.1665323.