Recent progress on the prediction of two-dimensional materials using CALYPSO

doi:10.1088/1674-1056/ab41ea

Abstract In recent years, structure design and predictions based on global optimization approach as implemented in CALYPSO software have gained great success in accelerating the discovery of novel two-dimensional (2D) materials. Here we highlight some most recent research progress on the prediction of novel 2D structures, involving elements, metal-free and metal-containing compounds using CALYPSO package. Particular emphasis will be given to those 2D materials that exhibit unique electronic and magnetic properties with great potentials for applications in novel electronics, optoelectronics, magnetronics, spintronics, and photovoltaics. Finally, we also comment on the challenges and perspectives for future discovery of multi-functional 2D materials.

Keywords: CALYPSO methodology two-dimensional materials structural prediction

Received: 09 August 2019
Revised: 04 September 2019
Accepted manuscript online:

PACS:	73.20.At	(Surface states, band structure, electron density of states)
	71.55.Ak	(Metals, semimetals, and alloys)
	71.20.-b	(Electron density of states and band structure of crystalline solids)
	68.90.+g	(Other topics in structure, and nonelectronic properties of surfaces and interfaces; thin films and low-dimensional structures)

Corresponding Authors: Aijun Du
E-mail: aijun.du@qut.edu.au

Cite this article:

Cheng Tang(唐程), Gurpreet Kour, Aijun Du(杜爱军) Recent progress on the prediction of two-dimensional materials using CALYPSO 2019 Chin. Phys. B 28 107306

[1]	Xu R, Zou X, Liu B and Cheng H M 2018 Mater. Today 21 391
[35]	Cheng F and He B 2016 Chin. Phys. Lett. 33 057301
[2]	Graser J, Kauwe S K and Sparks T D 2018 Chem. Mater. 30 3601
[36]	Naguib M, Kurtoglu M, Presser V, Lu J, Niu J J, Heon M, Hultman L, Gogotsi Y and Barsoum M W 2011 Adv. Mater. 23 4248
[3]	Fischer C C, Tibbetts K J, Morgan D and Ceder G 2006 Nat. Mater. 5 641
[37]	Li J R, Kuppler R J and Zhou H C 2009 Chem. Soc. Rev. 38 1477
[4]	Goedecker S 2004 J. Chem. Phys. 120 9911
[38]	Liu T, Tong L, Huang X and Ye L 2019 Chin. Phys. B 28 017302
[5]	Deaven D M and Ho K M 1995 Phys. Rev. Lett. 75 288
[39]	Han J and Wang J 2019 Chin. Phys. B 28 017103
[6]	Woodley S, Battle P, Gale J and Catlow C A 1999 Phys. Chem. Chem. Phys. 1 2535
[40]	Liao M, Du L, Zhang T, Gu L, Yao Y, Yang R, Shi D and Zhang G 2019 Chin. Phys. B 28 017301
[7]	Wales D J and Doye J P 1997 J. Phys. Chem. A 101 5111
[41]	Nicolosi V, Chhowalla M, Kanatzidis M G, Strano M S and Coleman J N 2013 Science 340 1226419
[8]	Wang Y, Lv J, Zhu L, Lu S, Yin K, Li Q, Wang H, Zhang L and Ma Y 2015 J. Phys.: Condens. Matter 27 203203
[42]	Ma R Z and Sasaki T 2015 Acc. Chem. Res. 48 136
[9]	Wang Y, Lv J, Zhu L and Ma Y 2010 Phys. Rev. B 82 094116
[43]	Cai Z Y, Liu B L, Zou X L and Cheng H M 2018 Chem. Rev. 118 6091
[10]	Zhang Y W, Wu W K, Wang Y C, Yang S Y A and Ma Y M 2017 J. Am. Chem. Soc. 139 13798
[44]	Wang H, Wang Y, Lv J, Li Q, Zhang L and Ma Y 2016 Comput. Mater. Sci. 112 406
[11]	Zhang S T, Li F, Xu H Y and Yang G C 2017 Inorg. Chem. 56 5233
[45]	Wang Y, Lv J, Zhu L and Ma Y 2012 Comput. Phys. Commun. 183 2063
[12]	Yang G, Shi S, Yang J and Ma Y 2015 J. Mater. Chem. A 3 8865
[46]	Gu T, Luo W and Xiang H J 2017 Wiley Interdiscip. Rev.: Comput. Mol. Sci. 7 e1295
[13]	Li D, Tian F B, Lv Y Z, Wei S L, Duan D F, Liu B B and Cui T 2017 J. Phys. Chem. C 121 1515
[47]	Wang Y C, Miao M S, Lv J, Zhu L, Yin K T, Liu H Y and Ma Y M 2012 J. Chem. Phys. 137 224108
[14]	Yin K T, Wang Y C, Liu H Y, Peng F and Zhang L J 2015 J. Mater. Chem. A 3 4188
[48]	Kresse G and Furthmüller J 1996 Phys. Rev. B 54 11169
[15]	Feng X, Lu S, Pickard C J, Liu H, Redfern S A and Ma Y 2018 Commun. Chem. 1 85
[49]	Soler J M, Artacho E, Gale J D, Garcia A, Junquera J, Ordejon P and Sanchez-Portal D 2002 J. Phys.: Condens. Matter 14 2745 Pii s0953-8984(02)30737
[16]	Peng F, Sun Y, Pickard C J, Needs R J, Wu Q and Ma Y 2017 Phys. Rev. Lett. 119 107001
[50]	Giannozzi P, Baroni S, Bonini N, et al. 2009 J. Phys.: Condens. Matter 21 395502
[17]	Brgoch J and Hermus M 2016 J. Phys. Chem. C 120 20033
[51]	Clark S J, Segall M D, Pickard C J, Hasnip P J, Probert M J, Refson K and Payne M C 2005 Z. Kristallogr. 220 567
[18]	Xu Q, Li Y, Zhang L, Zheng W, Singh D J and Ma Y 2016 Chem. Mater. 29 2459
[52]	Luo X, Yang J, Liu H, Wu X, Wang Y, Ma Y, Wei S H, Gong X and Xiang H 2011 J. Am. Chem. Soc. 133 16285
[19]	Lv J, Xu M, Lin S, Shao X, Zhang X, Liu Y, Wang Y, Chen Z and Ma Y 2018 Nano Energy 51 489
[53]	Wu X, Dai J, Zhao Y, Zhuo Z, Yang J and Zeng X C 2012 ACS Nano 6 7443
[54]	Dai J, Wu X, Yang J and Zeng X C 2014 J. Phys. Chem. Lett. 5 2058
[20]	Zhang C, Kuang X, Jin Y, Lu C, Zhou D, Li P, Bao G and Hermann A 2015 ACS Appl. Mater. Interfaces 7 26776
[55]	Luo X G, Liu L M, Hu Z P, Wang W H, Song W X, Li F F, Zhao S J, Liu H, Wang H T and Tian Y J 2012 J. Phys. Chem. Lett. 3 3373
[21]	Li Y W, Singh D J, Du M H, Xu Q L, Zhang L J, Zheng W T and Ma Y M 2016 J. Mater. Chem. C 4 4592
[56]	Li P, Zhou R and Zeng X C 2014 Nanoscale 6 11685
[22]	Xie C, Ma M, Liu C, Pan Y, Xiong M, He J, Gao G, Yu D, Xu B and Tian Y 2017 J. Mater. Chem. C 5 5897
[57]	Xu L C, Wang R Z, Miao M S, Wei X L, Chen Y P, Yan H, Lau W M, Liu L M and Ma Y M 2014 Nanoscale 6 1113
[23]	Lu C, Li Q, Ma Y and Chen C 2017 Phys. Rev. Lett. 119 115503
[58]	Jiao Y, Ma F, Bell J, Bilic A and Du A 2016 Angew. Chem. 128 10448
[24]	Zhang M, Liu H Y, Li Q, Gao B, Wang Y C, Li H D, Chen C F and Ma Y M 2015 Phys. Rev. Lett. 114 015502
[59]	Ma F, Gao G, Jiao Y, Gu Y, Bilic A, Zhang H, Chen Z and Du A 2016 Nanoscale 8 4969
[25]	Zhang J R, Lv J, Li H F, Feng X L, Lu C, Redfern S A T, Liu H Y, Chen C F and Ma Y M 2018 Phys. Rev. Lett. 121 255703
[60]	Ma F, Jiao Y, Gao G, Gu Y, Bilic A, Chen Z and Du A 2016 Nano Lett. 16 3022
[61]	Zhang H, Li Y, Hou J, Du A and Chen Z 2016 Nano Lett. 16 6124
[26]	Liu Z, Botana J, Hermann A, Valdez S, Zurek E, Yan D D, Lin H Q and Miao M S 2018 Nat. Commun. 9 951
[27]	Hashimoto A, Suenaga K, Gloter A, Urita K and Iijima S 2004 Nature 430 870
[62]	Fan D, Lu S, Guo Y and Hu X 2017 J. Mater. Chem. C 5 3561
[28]	Tan C L, Cao X H, Wu X J, et al. 2017 Chem. Rev. 117 6225
[63]	Liu P F, Zhou L, Tretiak S and Wu L M 2017 J. Mater. Chem. C 5 9181
[29]	Zhang Y B, Tan Y W, Stormer H L and Kim P 2005 Nature 438 201
[64]	Pu C Y, Zhou D W, Li Y F, Liu H Y, Chen Z F, Wang Y C and Ma Y M 2017 J. Phys. Chem. C 121 2669
[30]	Berger C, Song Z M, Li X B, et al. 2006 Science 312 1191
[65]	Wang B, Yuan S, Li Y, Shi L and Wang J 2017 Nanoscale 9 5577
[31]	Brihuega I, Mallet P, Bena C, Bose S, Michaelis C, Vitali L, Varchon F, Magaud L, Kern K and Veuillen J Y 2008 Phys. Rev. Lett. 101 206802
[66]	Wu H, Qian Y, Du Z, Zhu R, Kan E and Deng K 2017 Phys. Lett. A 381 3754
[67]	Li H, Xu Y, Sun X and Wang S 2018 J. Alloys Compd. 765 969
[32]	Liu Y, Duan X D, Huang Y and Duan X F 2018 Chem. Soc. Rev. 47 6388
[68]	Li X Y and Wang Q 2018 Phys. Rev. B 97 085418
[33]	Ma X, Zhang R, An C, Wu S, Hu X and Liu J 2019 Chin. Phys. B 28 037803
[69]	Zhao Y, Li X, Liu J, Zhang C and Wang Q 2018 J. Phys. Chem. Lett. 9 1815
[34]	Ren Y and Cheng F 2017 Chin. Phys. Lett. 34 027302
[70]	Tang X, Sun W, Gu Y, Lu C, Kou L and Chen C 2019 Phys. Rev. B 99 045445
[35]	Cheng F and He B 2016 Chin. Phys. Lett. 33 057301
[71]	Tang X, Sun W, Lu C, Kou L and Chen C 2019 Phys. Chem. Chem. Phys. 21 617
[36]	Naguib M, Kurtoglu M, Presser V, Lu J, Niu J J, Heon M, Hultman L, Gogotsi Y and Barsoum M W 2011 Adv. Mater. 23 4248
[72]	Huang B, Zhuang H L, Yoon M, Sumpter B G and Wei S H 2015 Phys. Rev. B 91 121401
[37]	Li J R, Kuppler R J and Zhou H C 2009 Chem. Soc. Rev. 38 1477
[73]	Li F, Wang Y, Wu H, Liu Z, Aeberhard U and Li Y 2017 J. Mater. Chem. C 5 11515
[38]	Liu T, Tong L, Huang X and Ye L 2019 Chin. Phys. B 28 017302
[74]	Shojaei F and Kang H S 2017 J. Mater. Chem. C 5 11267
[39]	Han J and Wang J 2019 Chin. Phys. B 28 017103
[40]	Liao M, Du L, Zhang T, Gu L, Yao Y, Yang R, Shi D and Zhang G 2019 Chin. Phys. B 28 017301
[75]	Wu Q, Xu W W, Qu B, Ma L, Niu X, Wang J and Zeng X C 2017 Mater. Horiz. 4 1085
[41]	Nicolosi V, Chhowalla M, Kanatzidis M G, Strano M S and Coleman J N 2013 Science 340 1226419
[76]	Li P, Zhang W, Li D, Liang C and Zeng X C 2018 ACS Appl. Mater. Interfaces 10 19897
[42]	Ma R Z and Sasaki T 2015 Acc. Chem. Res. 48 136
[77]	Lin S, Gu J, Wang Y, Wang Y, Zhang S, Liu X, Zeng H and Chen Z 2018 J. Mater. Chem. A 6 3738
[43]	Cai Z Y, Liu B L, Zou X L and Cheng H M 2018 Chem. Rev. 118 6091
[78]	Meng L B, Ni S, Zhang Y J, Li B, Zhou X W and Wu W D 2018 J. Mater. Chem. C 6 9175
[44]	Wang H, Wang Y, Lv J, Li Q, Zhang L and Ma Y 2016 Comput. Mater. Sci. 112 406
[79]	Wu Q, Xu W W, Ma L, Wang J and Zeng X C 2018 ACS Appl. Mater. Interfaces 10 16739
[45]	Wang Y, Lv J, Zhu L and Ma Y 2012 Comput. Phys. Commun. 183 2063
[80]	Guo Y, Ma L, Mao K, Ju M, Bai Y, Zhao J and Zeng X C 2019 Nanoscale Horiz. 4 592
[46]	Gu T, Luo W and Xiang H J 2017 Wiley Interdiscip. Rev.: Comput. Mol. Sci. 7 e1295
[81]	Guo Y, Wu Q, Li Y, Lu N, Mao K, Bai Y, Zhao J, Wang J and Zeng X C 2019 Nanoscale Horiz. 4 223
[47]	Wang Y C, Miao M S, Lv J, Zhu L, Yin K T, Liu H Y and Ma Y M 2012 J. Chem. Phys. 137 224108
[82]	Tang C, Ma F, Zhang C, Jiao Y, Matta S K, Ostrikov K and Du A 2019 J. Mater. Chem. C 7 1651
[48]	Kresse G and Furthmüller J 1996 Phys. Rev. B 54 11169
[83]	Yu T, Zhao Z, Sun Y, Bergara A, Lin J, Zhang S, Xu H, Zhang L, Yang G and Liu Y 2019 J. Am. Chem. Soc. 141 1599
[49]	Soler J M, Artacho E, Gale J D, Garcia A, Junquera J, Ordejon P and Sanchez-Portal D 2002 J. Phys.: Condens. Matter 14 2745 Pii s0953-8984(02)30737
[84]	Wang Y, Li F, Li Y and Chen Z 2016 Nat. Commun. 7 11488
[50]	Giannozzi P, Baroni S, Bonini N, et al. 2009 J. Phys.: Condens. Matter 21 395502
[85]	Gao Z, Dong X, Li N and Ren J 2017 Nano Lett. 17 772
[86]	Wang H, Li X, Sun J, Liu Z and Yang J 2017 2D Mater. 4 045020
[51]	Clark S J, Segall M D, Pickard C J, Hasnip P J, Probert M J, Refson K and Payne M C 2005 Z. Kristallogr. 220 567
[87]	Li F, Aeberhard U, Wu H, Qiao M and Li Y 2018 RSC Adv. 8 19432
[52]	Luo X, Yang J, Liu H, Wu X, Wang Y, Ma Y, Wei S H, Gong X and Xiang H 2011 J. Am. Chem. Soc. 133 16285
[88]	Liu S J, Du H, Li G L, Li L B, Shi X Q and Liu B B 2018 Phys. Chem. Chem. Phys. 20 20615
[53]	Wu X, Dai J, Zhao Y, Zhuo Z, Yang J and Zeng X C 2012 ACS Nano 6 7443
[89]	Meng L, Zhang Y, Zhou M, Zhang J, Zhou X, Ni S and Wu W 2018 Inorg. Chem. 57 1958
[54]	Dai J, Wu X, Yang J and Zeng X C 2014 J. Phys. Chem. Lett. 5 2058
[90]	Qian S, Sheng X, Zhou Y, Yan X, Chen Y, Huang Y, Huang X, Feng E and Huang W 2018 J. Phys. Chem. C 122 7959
[55]	Luo X G, Liu L M, Hu Z P, Wang W H, Song W X, Li F F, Zhao S J, Liu H, Wang H T and Tian Y J 2012 J. Phys. Chem. Lett. 3 3373
[91]	Zhang C, He T, Matta S K, Liao T, Kou L, Chen Z and Du A 2019 J. Phys. Chem. Lett. 10 2567
[56]	Li P, Zhou R and Zeng X C 2014 Nanoscale 6 11685
[57]	Xu L C, Wang R Z, Miao M S, Wei X L, Chen Y P, Yan H, Lau W M, Liu L M and Ma Y M 2014 Nanoscale 6 1113
[92]	Huang C, Feng J, Wu F, Ahmed D, Huang B, Xiang H, Deng K and Kan E 2018 J. Am. Chem. Soc. 140 11519
[58]	Jiao Y, Ma F, Bell J, Bilic A and Du A 2016 Angew. Chem. 128 10448
[93]	Liu C, Wan W, Ma J, Guo W and Yao Y 2018 Nanoscale 10 7984
[59]	Ma F, Gao G, Jiao Y, Gu Y, Bilic A, Zhang H, Chen Z and Du A 2016 Nanoscale 8 4969
[94]	Zhang C, Nie Y, Sanvito S and Du A 2019 Nano Lett. 19 1366
[60]	Ma F, Jiao Y, Gao G, Gu Y, Bilic A, Chen Z and Du A 2016 Nano Lett. 16 3022
[95]	Wu Q, Zhang Y, Zhou Q, Wang J and Zeng X C 2018 J. Phys. Chem. Lett. 9 4260
[61]	Zhang H, Li Y, Hou J, Du A and Chen Z 2016 Nano Lett. 16 6124
[96]	Wang B, Zhang Y, Ma L, Wu Q, Guo Y, Zhang X and Wang J 2019 Nanoscale 11 4204
[62]	Fan D, Lu S, Guo Y and Hu X 2017 J. Mater. Chem. C 5 3561
[97]	Wu Q, Zhang J J, Hao P, Ji Z, Dong S, Ling C, Chen Q and Wang J 2016 J. Phys. Chem. Lett. 7 3723
[63]	Liu P F, Zhou L, Tretiak S and Wu L M 2017 J. Mater. Chem. C 5 9181
[98]	Yan L, Bo T, Liu P F, Wang B T, Xiao Y G and Tang M H 2019 J. Mater. Chem. C 7 2589
[64]	Pu C Y, Zhou D W, Li Y F, Liu H Y, Chen Z F, Wang Y C and Ma Y M 2017 J. Phys. Chem. C 121 2669
[65]	Wang B, Yuan S, Li Y, Shi L and Wang J 2017 Nanoscale 9 5577
[99]	Hu M, Shu Y, Cui L, Xu B, Yu D L and He J L 2014 Phys. Chem. Chem. Phys. 16 18118
[66]	Wu H, Qian Y, Du Z, Zhu R, Kan E and Deng K 2017 Phys. Lett. A 381 3754
[100]	Li X, Wang Q and Jena P 2017 J. Phys. Chem. Lett. 8 3234
[67]	Li H, Xu Y, Sun X and Wang S 2018 J. Alloys Compd. 765 969
[101]	Cai Y, Guo Y, Jiang B and Lv Y 2017 Sci. Rep. 7 14948
[68]	Li X Y and Wang Q 2018 Phys. Rev. B 97 085418
[102]	Wang X, Feng Z, Rong J, Zhang Y, Zhong Y, Feng J, Yu X and Zhan Z 2019 Carbon 142 438
[69]	Zhao Y, Li X, Liu J, Zhang C and Wang Q 2018 J. Phys. Chem. Lett. 9 1815
[103]	Yu X, Li L, Xu X W and Tang C C 2012 J. Phys. Chem. C 116 20075
[70]	Tang X, Sun W, Gu Y, Lu C, Kou L and Chen C 2019 Phys. Rev. B 99 045445
[104]	Feng B, Zhang J, Zhong Q, Li W, Li S, Li H, Cheng P, Meng S, Chen L and Wu K 2016 Nat. Chem. 8 563
[71]	Tang X, Sun W, Lu C, Kou L and Chen C 2019 Phys. Chem. Chem. Phys. 21 617
[105]	Mannix A J, Zhou X F, Kiraly B, Wood J D, Alducin D, Myers B D, Liu X, Fisher B L, Santiago U and Guest J R 2015 Science 350 1513
[72]	Huang B, Zhuang H L, Yoon M, Sumpter B G and Wei S H 2015 Phys. Rev. B 91 121401
[106]	Liu C, Hu T, Wu Y, Gao H, Yang Y and Ren W 2019 J. Phys.: Condens. Matter 31 235702
[73]	Li F, Wang Y, Wu H, Liu Z, Aeberhard U and Li Y 2017 J. Mater. Chem. C 5 11515
[107]	Li D, Li P, Qu B, Pan B, Zhang B, He H and Zhou R 2016 Nanoscale 8 16467
[74]	Shojaei F and Kang H S 2017 J. Mater. Chem. C 5 11267
[108]	Xiang H J, Huang B, Li Z Y, Wei S H, Yang J L and Gong X G 2012 Phys. Rev. X 2 011003
[75]	Wu Q, Xu W W, Qu B, Ma L, Niu X, Wang J and Zeng X C 2017 Mater. Horiz. 4 1085
[109]	Yi W C, Liu W, Botana J, Liu J Y and Miao M S 2018 J. Mater. Chem. A 6 10348
[76]	Li P, Zhang W, Li D, Liang C and Zeng X C 2018 ACS Appl. Mater. Interfaces 10 19897
[110]	Cao S, Low J, Yu J and Jaroniec M 2015 Adv. Mater. 27 2150
[77]	Lin S, Gu J, Wang Y, Wang Y, Zhang S, Liu X, Zeng H and Chen Z 2018 J. Mater. Chem. A 6 3738
[111]	Wang L, Xu X, Zhang L, Qiao R, Wu M, Wang Z, Zhang S, Liang J, Zhang Z and Zhang Z 2019 Nature 570 91
[78]	Meng L B, Ni S, Zhang Y J, Li B, Zhou X W and Wu W D 2018 J. Mater. Chem. C 6 9175
[112]	Hong X, Lei M, Yang L, Tian-Zhong Y, Li-Hong B, Guo-Dong L, Lin Z, Tian-Sheng L, Jie X and Hong-Jun G 2018 Acta Phys. Sin. 67 218201 (in Chinese)
[79]	Wu Q, Xu W W, Ma L, Wang J and Zeng X C 2018 ACS Appl. Mater. Interfaces 10 16739
[113]	Wang G, Pandey R and Karna S P 2016 Nanoscale 8 8819
[80]	Guo Y, Ma L, Mao K, Ju M, Bai Y, Zhao J and Zeng X C 2019 Nanoscale Horiz. 4 592
[114]	Dai J, Zhao Y, Wu X, Yang J and Zeng X C 2013 J. Phys. Chem. Lett. 4 561
[81]	Guo Y, Wu Q, Li Y, Lu N, Mao K, Bai Y, Zhao J, Wang J and Zeng X C 2019 Nanoscale Horiz. 4 223
[115]	Wang G, Loh G, Pandey R and Karna S P 2015 J. Phys. Chem. C 119 15654
[82]	Tang C, Ma F, Zhang C, Jiao Y, Matta S K, Ostrikov K and Du A 2019 J. Mater. Chem. C 7 1651
[83]	Yu T, Zhao Z, Sun Y, Bergara A, Lin J, Zhang S, Xu H, Zhang L, Yang G and Liu Y 2019 J. Am. Chem. Soc. 141 1599
[116]	Qian Y, Du Z, Zhu R, Wu H, Kan E and Deng K 2018 EPL (Europhys. Lett.) 122 47002
[117]	Zhao L, Yi W, Botana J, Gu F and Miao M 2017 J. Phys. Chem. C 121 28520
[84]	Wang Y, Li F, Li Y and Chen Z 2016 Nat. Commun. 7 11488
[118]	Pan H, Sun Y, Zheng Y, Tang N and Du Y 2016 New J. Phys. 18 093021
[85]	Gao Z, Dong X, Li N and Ren J 2017 Nano Lett. 17 772
[119]	Zhang M, Gao G, Kutana A, Wang Y, Zou X, John S T, Yakobson B I, Li H, Liu H and Ma Y 2015 Nanoscale 7 12023
[86]	Wang H, Li X, Sun J, Liu Z and Yang J 2017 2D Mater. 4 045020
[120]	Zhang H, Li X, Meng X, Zhou S, Yang G and Zhou X 2019 J. Phys.: Condens. Matter 31 125301
[87]	Li F, Aeberhard U, Wu H, Qiao M and Li Y 2018 RSC Adv. 8 19432
[121]	Fu X, Guo J and Li L 2018 Mod. Phys. Lett. B 32 1850370
[88]	Liu S J, Du H, Li G L, Li L B, Shi X Q and Liu B B 2018 Phys. Chem. Chem. Phys. 20 20615
[89]	Meng L, Zhang Y, Zhou M, Zhang J, Zhou X, Ni S and Wu W 2018 Inorg. Chem. 57 1958
[90]	Qian S, Sheng X, Zhou Y, Yan X, Chen Y, Huang Y, Huang X, Feng E and Huang W 2018 J. Phys. Chem. C 122 7959
[122]	Qian Y, Wu H, Kan E and Deng K 2017 EPL (Europhys. Lett.) 118 17002
[91]	Zhang C, He T, Matta S K, Liao T, Kou L, Chen Z and Du A 2019 J. Phys. Chem. Lett. 10 2567
[123]	Zhang H, Liao Y, Yang G and Zhou X 2018 ACS Omega 3 10517
[92]	Huang C, Feng J, Wu F, Ahmed D, Huang B, Xiang H, Deng K and Kan E 2018 J. Am. Chem. Soc. 140 11519
[124]	Li F, Tu K, Zhang H and Chen Z 2015 Phys. Chem. Chem. Phys. 17 24151
[93]	Liu C, Wan W, Ma J, Guo W and Yao Y 2018 Nanoscale 10 7984
[125]	Shi Z, Zhang Z, Kutana A and Yakobson B I 2015 ACS Nano 9 9802
[94]	Zhang C, Nie Y, Sanvito S and Du A 2019 Nano Lett. 19 1366
[126]	Ding Y and Wang Y 2014 J. Phys. Chem. C 118 4509
[127]	Zhao Z, Yu T, Zhang S, Xu H, Yang G and Liu Y 2019 J. Mater. Chem. A 7 405
[95]	Wu Q, Zhang Y, Zhou Q, Wang J and Zeng X C 2018 J. Phys. Chem. Lett. 9 4260
[128]	Fu X, Xie Y and Chen Y 2018 Comput. Mater. Sci. 144 70
[96]	Wang B, Zhang Y, Ma L, Wu Q, Guo Y, Zhang X and Wang J 2019 Nanoscale 11 4204
[129]	Li T, He C and Zhang W 2019 J. Mater. Chem. A 7 4134
[97]	Wu Q, Zhang J J, Hao P, Ji Z, Dong S, Ling C, Chen Q and Wang J 2016 J. Phys. Chem. Lett. 7 3723
[130]	Li Q and Hou J 2019 Chin. J. Phys. 59 21
[98]	Yan L, Bo T, Liu P F, Wang B T, Xiao Y G and Tang M H 2019 J. Mater. Chem. C 7 2589
[131]	Lin S, Gu J, Zhang H, Wang Y and Chen Z 2018 FlatChem. 9 27
[99]	Hu M, Shu Y, Cui L, Xu B, Yu D L and He J L 2014 Phys. Chem. Chem. Phys. 16 18118
[132]	Wang S-f and Wu X-j 2015 Chin. J. Chem. Phys. 28 588
[100]	Li X, Wang Q and Jena P 2017 J. Phys. Chem. Lett. 8 3234
[133]	Tan X, Li F and Chen Z 2014 J. Phys. Chem. C 118 25825
[101]	Cai Y, Guo Y, Jiang B and Lv Y 2017 Sci. Rep. 7 14948
[134]	Liu S, Liu B, Shi X, Lv J, Niu S, Yao M, Li Q, Liu R, Cui T and Liu B 2017 Sci. Rep. 7 2404
[102]	Wang X, Feng Z, Rong J, Zhang Y, Zhong Y, Feng J, Yu X and Zhan Z 2019 Carbon 142 438
[135]	Wu H, Li X, Zhang R and Yang J 2019 J. Mater. Chem. A 7 3752
[103]	Yu X, Li L, Xu X W and Tang C C 2012 J. Phys. Chem. C 116 20075
[136]	Zhu Z, Cai X, Niu C, Wang C and Jia Y 2016 Appl. Phys. Lett. 109 153107
[104]	Feng B, Zhang J, Zhong Q, Li W, Li S, Li H, Cheng P, Meng S, Chen L and Wu K 2016 Nat. Chem. 8 563
[137]	Jia F, Qi Y, Hu S, Hu T, Li M, Zhao G, Zhang J, Stroppa A and Ren W 2017 RSC Adv. 7 38410
[105]	Mannix A J, Zhou X F, Kiraly B, Wood J D, Alducin D, Myers B D, Liu X, Fisher B L, Santiago U and Guest J R 2015 Science 350 1513
[138]	Zhang X, Zhang Z, Zhao X, Wu D and Zhou Z 2017 FlatChem. 4 42
[106]	Liu C, Hu T, Wu Y, Gao H, Yang Y and Ren W 2019 J. Phys.: Condens. Matter 31 235702
[107]	Li D, Li P, Qu B, Pan B, Zhang B, He H and Zhou R 2016 Nanoscale 8 16467
[139]	Qu X, Yang J, Wang Y, Lv J, Chen Z and Ma Y 2017 Nanoscale 9 17983
[108]	Xiang H J, Huang B, Li Z Y, Wei S H, Yang J L and Gong X G 2012 Phys. Rev. X 2 011003
[140]	Yuan G, Bo T, Qi X, Liu P F, Huang Z and Wang B T 2019 Appl. Surf. Sci. 480 448
[109]	Yi W C, Liu W, Botana J, Liu J Y and Miao M S 2018 J. Mater. Chem. A 6 10348
[141]	Bo T, Liu P F, Xu J, Zhang J, Chen Y, Eriksson O, Wang F and Wang B T 2018 Phys. Chem. Chem. Phys. 20 22168
[110]	Cao S, Low J, Yu J and Jaroniec M 2015 Adv. Mater. 27 2150
[142]	Zhang H, Li Y, Hou J, Tu K and Chen Z 2016 J. Am. Chem. Soc. 138 5644
[111]	Wang L, Xu X, Zhang L, Qiao R, Wu M, Wang Z, Zhang S, Liang J, Zhang Z and Zhang Z 2019 Nature 570 91
[143]	Bo T, Liu P F, Zhang J, Wang F and Wang B T 2019 Phys. Chem. Chem. Phys. 21 5178
[144]	Li Y, Liao Y and Chen Z 2014 Angew. Chem. Int. Ed. 53 7248
[112]	Hong X, Lei M, Yang L, Tian-Zhong Y, Li-Hong B, Guo-Dong L, Lin Z, Tian-Sheng L, Jie X and Hong-Jun G 2018 Acta Phys. Sin. 67 218201 (in Chinese)
[145]	Lu M, Zhang M and Liu H 2015 Phys. Lett. A 379 2511
[113]	Wang G, Pandey R and Karna S P 2016 Nanoscale 8 8819
[146]	Ma H M, Wang J, Zhao H Y, Zhang D B and Liu Y 2016 Chem. Phys. Lett. 660 238
[114]	Dai J, Zhao Y, Wu X, Yang J and Zeng X C 2013 J. Phys. Chem. Lett. 4 561
[147]	Meng L, Ni S, Zhou M, Zhang Y, Li Z and Wu W 2017 Phys. Chem. Chem. Phys. 19 32086
[115]	Wang G, Loh G, Pandey R and Karna S P 2015 J. Phys. Chem. C 119 15654
[148]	Hu L, Wu X and Yang J 2016 Nanoscale 8 12939
[116]	Qian Y, Du Z, Zhu R, Wu H, Kan E and Deng K 2018 EPL (Europhys. Lett.) 122 47002
[149]	Fan D, Lu S, Guo Y and Hu X 2018 J. Phys. Chem. C 122 15118
[117]	Zhao L, Yi W, Botana J, Gu F and Miao M 2017 J. Phys. Chem. C 121 28520
[150]	Li Y, Liao Y, von Ragué Schleyer P and Chen Z 2014 Nanoscale 6 10784
[118]	Pan H, Sun Y, Zheng Y, Tang N and Du Y 2016 New J. Phys. 18 093021
[151]	Yu T, Zhang S, Li F, Zhao Z, Liu L, Xu H and Yang G 2017 J. Mater. Chem. A 5 18698
[119]	Zhang M, Gao G, Kutana A, Wang Y, Zou X, John S T, Yakobson B I, Li H, Liu H and Ma Y 2015 Nanoscale 7 12023
[152]	Yu T, Zhao Z, Liu L, Zhang S, Xu H and Yang G 2018 J. Am. Chem. Soc. 140 5962
[120]	Zhang H, Li X, Meng X, Zhou S, Yang G and Zhou X 2019 J. Phys.: Condens. Matter 31 125301
[153]	Wang Y, Qiao M, Li Y and Chen Z 2018 Nanoscale Horiz. 3 327
[121]	Fu X, Guo J and Li L 2018 Mod. Phys. Lett. B 32 1850370
[154]	Yang L M, Bačić V, Popov I A, Boldyrev A I, Heine T, Frauenheim T and Ganz E 2015 J. Am. Chem. Soc. 137 2757
[155]	Zhang S, Li Y, Zhao T and Wang Q 2015 Sci. Rep. 4 5241
[122]	Qian Y, Wu H, Kan E and Deng K 2017 EPL (Europhys. Lett.) 118 17002
[156]	Zhao K, Li X, Wang S and Wang Q 2019 Phys. Chem. Chem. Phys. 21 246
[123]	Zhang H, Liao Y, Yang G and Zhou X 2018 ACS Omega 3 10517
[157]	Chen C, Huang B and Wu J 2018 AIP Adv. 8 105105
[124]	Li F, Tu K, Zhang H and Chen Z 2015 Phys. Chem. Chem. Phys. 17 24151
[158]	Liu P F, Zhou L, Frauenheim T and Wu L M 2016 Phys. Chem. Chem. Phys. 18 30379
[125]	Shi Z, Zhang Z, Kutana A and Yakobson B I 2015 ACS Nano 9 9802
[159]	Gong S, Zhang C, Wang S and Wang Q 2017 J. Phys. Chem. C 121 10258
[126]	Ding Y and Wang Y 2014 J. Phys. Chem. C 118 4509
[160]	Zhou D, Zheng Y, Pu C, Wang Z and Tang X 2018 Chin. Phys. Lett. 35 107101
[127]	Zhao Z, Yu T, Zhang S, Xu H, Yang G and Liu Y 2019 J. Mater. Chem. A 7 405
[161]	Li X and Wang Q 2018 Phys. Rev. B 97 085418
[128]	Fu X, Xie Y and Chen Y 2018 Comput. Mater. Sci. 144 70
[162]	Tan C, Zhou P, Lin J and Sun L 2017 Phys. Status Solidi RRL 11 1700051
[129]	Li T, He C and Zhang W 2019 J. Mater. Chem. A 7 4134
[130]	Li Q and Hou J 2019 Chin. J. Phys. 59 21
[163]	Xu M, Chen Y, Xiong F, Wang J, Liu Y, Lv J, Li Y, Wang Y, Chen Z and Ma Y 2018 J. Mater. Chem. A 6 16087
[164]	Naseri M and Lin S 2019 Chem. Phys. Lett. 722 58
[131]	Lin S, Gu J, Zhang H, Wang Y and Chen Z 2018 FlatChem. 9 27
[165]	Wang Y, Li Y and Chen Z 2015 J. Mater. Chem. C 3 9603
[132]	Wang S-f and Wu X-j 2015 Chin. J. Chem. Phys. 28 588
[166]	Zhang Y, Pang J, Zhang M, Gu X and Huang L 2017 Sci. Rep. 7 15993
[133]	Tan X, Li F and Chen Z 2014 J. Phys. Chem. C 118 25825
[167]	Meng L, Zhang Y, Zhang J and Wu W 2018 J. Phys.: Condens. Matter 30 095301
[134]	Liu S, Liu B, Shi X, Lv J, Niu S, Yao M, Li Q, Liu R, Cui T and Liu B 2017 Sci. Rep. 7 2404
[168]	Lin S, Wang Y and Chen Z 2018 Front. Phys. 13 138109
[135]	Wu H, Li X, Zhang R and Yang J 2019 J. Mater. Chem. A 7 3752
[169]	Song T T, Yang M, Chai J W, Callsen M, Zhou J, Yang T, Zhang Z, Pan J S, Chi D Z and Feng Y P 2016 Sci. Rep. 6 29221
[136]	Zhu Z, Cai X, Niu C, Wang C and Jia Y 2016 Appl. Phys. Lett. 109 153107
[170]	Wang D, Sun Z, Han D, Liu L and Niu L 2017 RSC Adv. 7 11834
[137]	Jia F, Qi Y, Hu S, Hu T, Li M, Zhao G, Zhang J, Stroppa A and Ren W 2017 RSC Adv. 7 38410
[138]	Zhang X, Zhang Z, Zhao X, Wu D and Zhou Z 2017 FlatChem. 4 42
[139]	Qu X, Yang J, Wang Y, Lv J, Chen Z and Ma Y 2017 Nanoscale 9 17983
[140]	Yuan G, Bo T, Qi X, Liu P F, Huang Z and Wang B T 2019 Appl. Surf. Sci. 480 448
[141]	Bo T, Liu P F, Xu J, Zhang J, Chen Y, Eriksson O, Wang F and Wang B T 2018 Phys. Chem. Chem. Phys. 20 22168
[142]	Zhang H, Li Y, Hou J, Tu K and Chen Z 2016 J. Am. Chem. Soc. 138 5644
[143]	Bo T, Liu P F, Zhang J, Wang F and Wang B T 2019 Phys. Chem. Chem. Phys. 21 5178
[144]	Li Y, Liao Y and Chen Z 2014 Angew. Chem. Int. Ed. 53 7248
[145]	Lu M, Zhang M and Liu H 2015 Phys. Lett. A 379 2511
[146]	Ma H M, Wang J, Zhao H Y, Zhang D B and Liu Y 2016 Chem. Phys. Lett. 660 238
[147]	Meng L, Ni S, Zhou M, Zhang Y, Li Z and Wu W 2017 Phys. Chem. Chem. Phys. 19 32086
[148]	Hu L, Wu X and Yang J 2016 Nanoscale 8 12939
[149]	Fan D, Lu S, Guo Y and Hu X 2018 J. Phys. Chem. C 122 15118
[150]	Li Y, Liao Y, von Ragué Schleyer P and Chen Z 2014 Nanoscale 6 10784
[151]	Yu T, Zhang S, Li F, Zhao Z, Liu L, Xu H and Yang G 2017 J. Mater. Chem. A 5 18698
[152]	Yu T, Zhao Z, Liu L, Zhang S, Xu H and Yang G 2018 J. Am. Chem. Soc. 140 5962
[153]	Wang Y, Qiao M, Li Y and Chen Z 2018 Nanoscale Horiz. 3 327
[154]	Yang L M, Bačić V, Popov I A, Boldyrev A I, Heine T, Frauenheim T and Ganz E 2015 J. Am. Chem. Soc. 137 2757
[155]	Zhang S, Li Y, Zhao T and Wang Q 2015 Sci. Rep. 4 5241
[156]	Zhao K, Li X, Wang S and Wang Q 2019 Phys. Chem. Chem. Phys. 21 246
[157]	Chen C, Huang B and Wu J 2018 AIP Adv. 8 105105
[158]	Liu P F, Zhou L, Frauenheim T and Wu L M 2016 Phys. Chem. Chem. Phys. 18 30379
[159]	Gong S, Zhang C, Wang S and Wang Q 2017 J. Phys. Chem. C 121 10258
[160]	Zhou D, Zheng Y, Pu C, Wang Z and Tang X 2018 Chin. Phys. Lett. 35 107101
[161]	Li X and Wang Q 2018 Phys. Rev. B 97 085418
[162]	Tan C, Zhou P, Lin J and Sun L 2017 Phys. Status Solidi RRL 11 1700051
[163]	Xu M, Chen Y, Xiong F, Wang J, Liu Y, Lv J, Li Y, Wang Y, Chen Z and Ma Y 2018 J. Mater. Chem. A 6 16087
[164]	Naseri M and Lin S 2019 Chem. Phys. Lett. 722 58
[165]	Wang Y, Li Y and Chen Z 2015 J. Mater. Chem. C 3 9603
[166]	Zhang Y, Pang J, Zhang M, Gu X and Huang L 2017 Sci. Rep. 7 15993
[167]	Meng L, Zhang Y, Zhang J and Wu W 2018 J. Phys.: Condens. Matter 30 095301
[168]	Lin S, Wang Y and Chen Z 2018 Front. Phys. 13 138109
[169]	Song T T, Yang M, Chai J W, Callsen M, Zhou J, Yang T, Zhang Z, Pan J S, Chi D Z and Feng Y P 2016 Sci. Rep. 6 29221
[170]	Wang D, Sun Z, Han D, Liu L and Niu L 2017 RSC Adv. 7 11834

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