[1] Kelly T G, Chen J G 2012 Chem. Soc. Rev. 41 8021
[2] Gao P, Wang Y, Yang S Q, Chen Y J, Xue Z, Wang L Q, Li G B, Sun Y Z 2012 Int. J. Hydrogen Energy 37 17126
[3] Li Z Y, Hu L, Liu Q Y, Ning C G, Chen H, He S G, Yao J 2015 Chem. Eur. J. 21 17748
[4] Li H F, Li Z Y, Liu Q Y, Li X N, Zhao Y X, He S G 2015 J. Phys. Chem. Lett. 6 2287
[5] Jiang J, Wang S, Li W, Klein L 2016 J. Am. Ceram. Soc. 99 3198
[6] Zhong Y, Xia X H, Shi F, Zhan J Y, Tu J P, Fan H J 2016 Adv. Sci. 3 1500286
[7] Shahzad F, Aihabeb M, Hatter C B, Anasori B, Hong S M, Koo C M, Gogotsi Y 2016 Science 353 1137
[8] Chai Y, Guo T, Jin C M, Haufler R E, Chibante L P F, Fure J, Wang L H, Alford J M, Smalley R E 1991 J. Phys. Chem. 95 7564
[9] Guo B C, Kerns K I, Castleman A W 1992 Science 255 1411
[10] Guo B C, Wei S, Purnell J, Buzza S, Castleman A W Jr 1992 Science 256 515
[11] Reddy B V, Khanna S N, Jena P 1992 Science 258 1640
[12] Pilgrim J S, Duncan M A 1993 J. Am. Chem. Soc. 115 6958
[13] Pilgrim J S, Duncan M A 1993 J. Am. Chem. Soc. 115 9724
[14] Pilgrim J S, Duncan M A 1993 J. Am. Chem. Soc. 115 4395
[15] Clemmer D E, Shelimov K B, Jarrold M F 1994 Nature 367 718
[16] Clemmer D E, Hunter J M, Shelimov K B, Jarrold M F 1994 Nature 372 248
[17] Wang L S, Li S, Wu H 1996 J. Phys. Chem. 100 19211
[18] Li S, Wu H, Wang L S 1997 J. Am. Chem. Soc. 119 7417
[19] Li X, Wang L S 1999 J. Chem. Phys. 111 8389
[20] Wang L S, Li X 2000 J. Chem. Phys. 112 3602
[21] Wang L S, Cheng H S 1997 Phys. Rev. Lett. 78 2983
[22] Wang X B, Ding C F, Wang L S 1997 J. Phys. Chem. A 101 7699
[23] Zhai H J, Wang L S, Jena P, Gutsev G L, Bauschlicher C W 2004 J. Chem. Phys. 120 8996
[24] Fan J W, Lou L, Wang L S 1995 J. Chem. Phys. 102 2701
[25] Ticknor B W, Bandyopadhyay B, Duncan M A 2008 J. Phys. Chem. A 112 12355
[26] León I, Ruipérez F, Ugalde J M, Wang L S 2016 J. Chem. Phys. 145 064304
[27] Xu X L, Yang B, Zhang C J, Xu H G, Zheng W J 2019 J. Chem. Phys. 150 074304
[28] Redondo P, Barrientos C, Largo A 2005 J. Phys. Chem. A 109 8594
[29] Redondo P, Barrientos C, Largo A 2006 J. Phys. Chem. A 110 4057
[30] Redondo P, Barrientos C, Largo A 2006 J. Chem. Theory Comput. 2 885
[31] Redondo P, Barrientos C, Largo A 2006 J. Mol. Struct. 769 225
[32] Barrientos C, Redondo P, Largo A 2007 J. Chem. Theory Comput. 3 657
[33] Largo L, Cimas Á, Redondo P, Rayón V M, Barrientos C 2007 Int. J. Mass Spectrom. 266 50
[34] Redondo P, Barrientos C, Largo A 2008 Int. J. Quantum Chem. 108 1684
[35] Redondo P, Barrientos C, Largo A 2008 Int. J. Mass Spectrom. 272 187
[36] Largo L, Barrientos C, Redondo P 2009 J. Chem. Phys. 130 134304
[37] Redondo P, Largo L, Barrientos C 2009 Chem. Phys. 364 1
[38] Yuan J Y, Xu H G, Zheng W J 2014 Phys. Chem. Chem. Phys. 16 5434
[39] Yuan J Y, Wang P, Hou G L, Feng G, Zhang W J, Xu X L, Xu H G, Yang J L, Zheng W J 2016 J. Phys. Chem. A 120 1520
[40] Xu X L, Yuan J Y, Yang B, Xu H G, Zheng W J 2017 Chin. J. Chem. Phys. 30 717
[41] Wang L S, Wang X B, Wu H, Cheng H 1998 J. Am. Chem. Soc. 120 6556
[42] Strout D L, Hall M B 1996 J. Phys. Chem. 100 18007
[43] Strout D L, Hall M B 1998 J. Phys. Chem. A 102 641
[44] Strout D L, Miller III T F, Hall M B 1998 J. Phys. Chem. A 102 6307
[45] Roszak S, Balasubramanian K 1998 J. Phys. Chem. A 102 6004
[46] Li X, Liu S S, Chen W, Wang L S 1999 J. Chem. Phys. 111 2464
[47] Dai D, Roszak S, Balasubramanian K 2000 J. Phys. Chem. A 104 9760
[48] Dai D G, Balasubramanian K 2000 J. Phys. Chem. A 104 1325
[49] Zhai H J, Liu S R, Li X, Wang L S 2001 J. Chem. Phys. 115 5170
[50] Knappenberger K L, Clayborne P A, Reveles J U, Sobhy M A, Jones C E, Gupta U U, Khanna S N, Iordanov I, Sofo J, Castleman A W 2007 ACS Nano 1 319
[51] Fukushima N, Miyajima K, Mafune F 2009 J. Phys. Chem. A 113 2309
[52] Zhang Q, Song L, Lu X, Huang R b, Zheng L S 2010 J. Mol. Struct. 967 153
[53] Harding D J, Kerpal C, Meijer G, Fielicke A 2013 J. Phys. Chem. Lett. 4 892
[54] León I, Yang Z, Wang L S 2014 J. Chem. Phys. 140 084303
[55] León I, Ruiperez F, Ugalde J M, Wang L S 2018 J. Chem. Phys. 149 144307
[56] Wang P, Zhang W, Xu X L, Yuan J, Xu H G, Zheng W 2017 J. Chem. Phys. 146 194303
[57] Lu S J 2018 Chem. Phys. Lett. 699 218
[58] Lu S J 2018 Chem. Phys. Lett. 694 70
[59] Heaven M W, Stewart G M, Buntine M A, Meth G F 2000 J. Phys. Chem. A 104 3308
[60] van Heijnsbergen D, Fielicke A, Meijer G, von Helden G 2002 Phys. Rev. Lett. 89 013401
[61] Dryza V, Addicoat M A, Gascooke J R, Buntine M A, Metha G F 2005 J. Phys. Chem. A 109 11180
[62] Dryza V, Alvino J F, Metha G F 2010 J. Phys. Chem. A 114 4080
[63] Aravind G, Nrisimhamurty M, Mane R G, Gupta A K, Krishnakumar E 2015 Phys. Rev. A 92 042503
[64] Li H F, Zhao Y X, Yuan Z, Liu Q Y, Li Z Y, Li X N, Ning C G, He S G 2017 J. Phys. Chem. Lett. 8 605
[65] Mou L H, Liu Q Y, Zhang T, Li Z Y, He S G 2018 J. Phys. Chem. A 122 3489
[66] Li Z Y, Mou L H, Wei G P, Ren Y, Zhang M Q, Liu Q Y, He S G 2019 Inorg. Chem. 58 4701
[67] Chernyy V, Logemann R, Kirilyuk A, Bakker J M 2018 ChemPhysChem 19 1424
[68] Savino R, Fumoa M D S, Paterna D, Di Masoa A, Monteverde F 2010 Aerosp. Sci. Technol. 14 178
[69] Graeve O A, Munir Z A 2011 J. Mater. Res. 17 609
[70] Fukunaga A, Chu S, McHenry M E 2011 J. Mater. Res. 13 2465
[71] Tuleushev Y Z, Volodin V N, Zhakanbaev E A, Alimzhan B 2016 Phys. Met. Metall. 117 789
[72] Mehdikhan B, Borhani G H, Bakhshi S R, Baharvandi H R 2017 Refract. Ind. Ceram. 57 507
[73] Xu H G, Zhang Z G, Feng Y, Zheng W 2010 Chem. Phys. Lett. 498 22
[74] Lü J, Wang Y, Zhu L, Ma Y 2012 J. Chem. Phys. 137 084104
[75] Frisch M J, Trucks G W, Schlegel H B, et al. 2016 GAUSSIAN 09 (Revision Ed. 01) (Wallingford, CT: Gaussian, Inc.)
[76] Perdew J P, Burke K, Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
[77] Pritchard B P, Altarawy D, Didier B, Gibson T D, Windus T L 2019 J. Chem. Inf. Model. 59 4814
[78] Glendening E D, Badenhoop J K, Reed A E, Carpenter J E, Bohmann J A, Morales C M, Landis C R, Weinhold F NBO 6.0 (http://nbo6.chem.wisc.edu/)
[79] Tozer D J, Handy N C 1998 J. Chem. Phys. 109 10180
[80] Akola J, Manninen M, Häkkinen H, Landman U, Li X, Wang L S 1999 Phys. Rev. B 60 R11297
[81] Lu T, Chen F 2012 J. Comput. Chem. 33 580
[82] Reed A E, Weinstock R B, Weinhold F 1985 J. Chem. Phys. 83 735
[83] Fielicke A, Gruene P, Haertelt M, Harding D J, Meijer G 2010 J. Phys. Chem. A 114 9755
[84] Shabalin I L 2014 Ultra-HighTemperatureMaterials (1st Ed.) (Dordrecht: Springer Netherlands) p389