Downloads

1 X. Liu, T. Duan, Y. Sui, C. Meng and Y. Han, RSC Adv., 2014, 4, 38750–38760. 2 K. Uosaki, G. Elumalai, H. Noguchi, T. Masuda, A. Lyalin, A. Nakayama and T. Taketsugu, J. Am. Chem. Soc., 2014, 136, 6542–6545. 3 S. Joshi, D. Ecija, R. Koitz, M. Iannuzzi, A. P. Seitsonen, J. Hutter, H. Sachdev, S. Vijayaraghavan, F. Bischoff, K. Seufert, J. V. Barth and W. Auwärter, Nano Lett., 2012, 12, 5821–5828. 4 K. K. Kim, A. Hsu, X. Jia, S. M. Kim, Y. Shi, M. Hofmann, D. Nezich, J. F. Rodriguez-Nieva, M. Dresselhaus, T. Palacios and J. Kong, Nano Lett., 2012, 12, 161–166. 5 A. B. Preobrajenski, A. S. Vinogradov, M. L. Ng, E. Ćavar, R. Westerström, A. Mikkelsen, E. Lundgren and N. Mårtensson, Phys. Rev. B, 2007, 75, 245412. 6 M. Morscher, M. Corso, T. Greber and J. Osterwalder, Surf. Sci., 2006, 600, 3280–3284. 7 Y. Gao, W. Ren, T. Ma, Z. Liu, Y. Zhang, W.-B. Liu, L.-P. Ma, X. Ma and H.-M. Cheng, ACS Nano, 2013, 7, 5199–5206. 8 F. Schulz, R. Drost, S. K. Hämäläinen, T. Demonchaux, A. P. Seitsonen and P. Liljeroth, Phys. Rev. B, 2014, 89, 235429. 9 W. Auwärter, T. J. Kreutz, T. Greber and J. Osterwalder, Surf. Sci., 1999, 429, 229–236. 10 Y. Kubota, K. Watanabe, O. Tsuda and T. Taniguchi, Science, 2007, 317, 932–4. 11 T. Sugino and T. Tai, Jpn. J. Appl. Phys., 2000, 39, L1101–L1104. 12 K. Watanabe, T. Taniguchi and H. Kanda, Nat. Mater., 2004, 3, 404–409. 13 A. H. M. A. Wasey, S. Chakrabarty, G. P. Das and C. Majumder, ACS Appl. Mater. Interfaces, 2013, 5, 10404–10408. 14 S. Lin, J. Huang and X. Gao, Phys. Chem. Chem. Phys., 2015, 17, 22097–22105. 15 X. Gao, S. Wang and S. Lin, ACS Appl. Mater. Interfaces, 2016, 8, 24238–24247. 16 E. Rokuta, Y. Hasegawa, K. Suzuki, Y. Gamou, C. Oshima and A. Nagashima, Phys. Rev. Lett., 1997, 79, 4609–4612. 17 A. B. Preobrajenski, A. S. Vinogradov and N. Mårtensson, Surf. Sci., 2005, 582, 21–30. 18 A. B. Preobrajenski, S. A. Krasnikov, A. S. Vinogradov, M. L. Ng, T. Käämbre, A. A. Cafolla and N. Mårtensson, Phys. Rev. B, 2008, 77, 085421. 19 J. Gómez Díaz, Y. Ding, R. Koitz, A. P. Seitsonen, M. Iannuzzi and J. Hutter, Theor. Chem. Acc., 2013, 132, 1350. 20 R. W. G. Wyckoff, Crystal Structures, Volume 1, Interscience Publishers, New York, Second., 1963. 21 W. Paszkowicz, J. B. Pelka, M. Knapp, T. Szyszko and S. Podsiadlo, Appl. Phys. A Mater. Sci. Process., 2002, 75, 431–435. 22 R. V. Gorbachev, I. Riaz, R. R. Nair, R. Jalil, L. Britnell, B. D. Belle, E. W. Hill, K. S. Novoselov, K. Watanabe, T. Taniguchi, A. K. Geim and P. Blake, Small, 2011, 7, 465–8. 23 G. Kresse and J. Furthmüller, Comput. Mater. Sci., 1996, 6, 15–50. 24 G. Kresse and J. Furthmüller, Phys. Rev. B, 1996, 54, 11169–11186. 25 P. E. Blöchl, Phys. Rev. B, 1994, 50, 17953–17979. 26 G. Kresse and D. Joubert, Phys. Rev. B, 1999, 59, 1758–1775. 27 H. J. Monkhorst and J. D. Pack, Phys. Rev. B, 1976, 13, 5188–5192. 28 G. Makov and M. Payne, Phys. Rev. B, 1995, 51, 4014–4022. 29 W. Zhao, S. M. Kozlov, O. Höfert, K. Gotterbarm, M. P. A. Lorenz, F. Viñes, C. Papp, A. Görling and H. P. Steinrück, J. Phys. Chem. Lett., 2011, 2, 759–764. 30 Y. Gamou, M. Terai, A. Nagashima and C. Oshima, Sci. Reports Rerearch Institutes Tohoku Univ. Ser. A-Physics, 1997, 44, 211–214. 31 J. P. Perdew, K. Burke and M. Ernzerhof, Phys. Rev. Lett., 1996, 77, 3865–3868. 32 S. Grimme, J. Comput. Chem., 2006, 27, 1787–99. 33 S. Grimme, J. Antony, S. Ehrlich and H. Krieg, J. Chem. Phys., 2010, 132, 154104. 34 J. Klimeš, D. R. Bowler and A. Michaelides, J. Phys. Condens. Matter, 2010, 22, 022201. 35 J. Klimeš, D. R. Bowler and A. Michaelides, Phys. Rev. B, 2011, 83, 195131. 36 G. Mills, H. Jónsson and G. K. Schenter, Surf. Sci., 1995, 324, 305–337. 37 A. A. Tonkikh, E. N. Voloshina, P. Werner, H. Blumtritt, B. Senkovskiy, G. Güntherodt, S. S. P. Parkin and Y. S. Dedkov, Sci. Rep., 2016, 6, 23547. 38 M. Muntwiler, W. Auwärter, F. Baumberger, M. Hoesch, T. Greber and J. Osterwalder, Surf. Sci., 2001, 472, 125–132. 39 J. Osterwalder, W. Auwärter, M. Muntwiler and T. Greber, e-Journal Surf. Sci. Nanotechnol., 2003, 1, 124–129. 40 P. Janthon, F. Viñes, S. M. Kozlov, J. Limtrakul and F. Illas, J. Chem. Phys., 2013, 138, 244701. 41 A. Nagashima, N. Tejima, Y. Gamou, T. Kawai and C. Oshima, Phys. Rev. Lett., 1995, 75, 3918–3921. 42 A. Nagashima, N. Tejima, Y. Gamou, T. Kawai and C. Oshima, Phys. Rev. B, 1995, 51, 4606–4613. 43 A. Nagashima, N. Tejima, Y. Gamou, T. Kawai and C. Oshima, Surf. Sci., 1996, 357–358, 307–311. 44 A. Nagashima, N. Tejima, Y. Gamou, T. Kawai, M. Terai, M. Wakabayashi and C. Oshima, Int. J. Mod. Phys. B, 1996, 10, 3517–3537. 45 B. Grad, P. Blaha, K. Schwarz, W. Auwärter and T. Greber, Phys. Rev. B, 2003, 68, 085404. 46 R. Laskowski, P. Blaha and K. Schwarz, Phys. Rev. B, 2008, 78, 045409. 47 M. N. Huda and L. Kleinman, Phys. Rev. B, 2006, 74, 075418. 48 A. Ebnonnasir, S. Kodambaka and C. V. Ciobanu, Surf. Rev. Lett., 2015, 22, 1550078. 49 P. Ares, E. G. Michel, M. Pisarra, P. Segovia, C. Gómez-Navarro, F. Martín, J. Gómez-Herrero, F. Zamora and C. Díaz, Adv. Funct. Mater., 2019, 29, 1806715. 50 V. G. Ruiz, W. Liu, E. Zojer, M. Scheffler and A. Tkatchenko, Phys. Rev. Lett., 2012, 108, 146103. 51 W. Liu, J. Carrasco, B. Santra, A. Michaelides, M. Scheffler and A. Tkatchenko, Phys. Rev. B, 2012, 86, 245405. 52 J. Carrasco, W. Liu, A. Michaelides and A. Tkatchenko, J. Chem. Phys., 2014, 140, 084704. 53 J. Ontaneda, A. Singh, U. V Waghmare and R. Grau-Crespo, J. Phys. Condens. Matter, 2018, 30, 185701.