References
- M. Ni, M.K.H. Leung, D.Y.C. Leung and K. Sumathy, Renew. Sustain. Energy Rev. 11 (3), 401–425 (2007). doi: 10.1016/j.rser.2005.01.009
- K. Shiba, Curr. Opin. Biotechnol. 21 (4), 412–425 (2010). doi: 10.1016/j.copbio.2010.07.008
- T. Wang, H. Jiang, L. Wan, Q. Zhao, T. Jiang, B. Wang and S. Wang, Acta Biomater. 13, 354–363 (2015). doi: 10.1016/j.actbio.2014.11.010
- C. Arcangeli, F. Buonocore, M. Celino, G. Zollo, F. Gala and L. Agosta, Phys. Chem. Chem. Phys. 17 (3), 1556–1561 (2014).
- F. Gala, L. Agosta and G. Zollo, J. Phys. Chem. C. 120 (1), 450–456 (2016). doi: 10.1021/acs.jpcc.5b10934
- E.G. Brandt, L. Agosta and A.P. Lyubartsev, Nanoscale. 8 (27), 13385–13398 (2016). doi: 10.1039/C6NR02791A
- A.A. Skelton, T. Liang and T.R. Walsh, ACS Appl. Mater. Interfaces 1 (7), 1482–1491 (2009). doi: 10.1021/am9001666
- C. Sun, L.M. Liu, A. Selloni, G.Q. Lu and S.C. Smith, J. Mater. Chem. 20 (46), 10319–10334 (2010). doi: 10.1039/c0jm01491e
- G. Serrano, B. Bonanni, M. Di Giovannantonio, T. Kosmala, M. Schmid, U. Diebold, A. Di Carlo, J. Cheng, J. VandeVondele, K. Wandelt and C. Goletti, Adv. Mater. Interfaces 2 (17), 1500246 (2015). doi: 10.1002/admi.201500246
- A. Tilocca and A. Selloni, Langmuir. 20 (19), 8379–8384 (2004). doi: 10.1021/la048937r
- K. Sebbari, C. Domain, J. Roques, H. Perron, E. Simoni and H. Catalette, Surf. Sci. 605, 1275–1280 (2011). doi: 10.1016/j.susc.2011.04.015
- N.J. English, Chem. Phys. Lett. 583, 125–130 (2013). doi: 10.1016/j.cplett.2013.07.078
- D. Wang, T. Hisatomi, T. Takata, C. Pan, M. Katayama, J. Kubota and K. Domen, Angew. Chem. Int. Ed. 52, 11252 (2013). doi: 10.1002/anie.201303693
- Z. Futera and N.J. English, J. Phys. Chem. C. 121, 6701–6711 (2017). doi: 10.1021/acs.jpcc.6b12803
- Z. Futera and N.J. English, J. Chem. Phys. 145, 204706 (2016). doi: 10.1063/1.4967520
- M.E. Tuckerman, D. Marx, M.L. Klein and M. Parrinello, Science. 275, 817–820 (1997). doi: 10.1126/science.275.5301.817
- M. Foroutan, M. Darvishi, S. Mahmood Fatemi and K. Hamideh Babazadeh, J. Mol. Liq. 250, 344–352 (2018). doi: 10.1016/j.molliq.2017.12.021
- E.C. Spencer, A.A. Levchenko, N.L. Ross, A.I. Kolesnikov, J. Boerio-Goates, B.F. Woodfield, A. Navrotsky and G. Li, J. Phys. Chem. A. 113, 2796–2800 (2009). doi: 10.1021/jp8109918
- G. Mattioli, F. Filippone, R. Caminiti and A.A. Bonapasta, J. Phys. Chem. C. 112, 13579–13586 (2008). doi: 10.1021/jp8031176
- R. Kavathekar, P. Dev, N.J. English and J.M.D. MacElroy, Molec. Phys. 109, 1649–1656 (2011). doi: 10.1080/00268976.2011.582051
- R.S. Kavathekar, N.J. English and J.M.D. MacElroy, Mol. Phys. 109, 2645–2654 (2011). doi: 10.1080/00268976.2011.627884
- N.J. English, R.S. Kavathekar and J.M.D. MacElroy, Mol. Phys. 110, 2919–2925 (2012). doi: 10.1080/00268976.2012.683888
- R. Long, N.J. English and O.V. Prezhdo, J. Phys. Chem. Lett. 5, 2941–2946 (2014). doi: 10.1021/jz5013627
- A. Tilocca and A. Selloni, J. Phys. Chem. C. 116, 9114–9121 (2012). doi: 10.1021/jp301624v
- G. Zhou, C. Liu and L. Huang, J. Chem. Eng. Data. 63, 2420–2429 (2018). doi: 10.1021/acs.jced.7b00984
- B. Wei, F. Tielens and M. Calatayud, Nanomaterials 9, 1199 (2019). doi: 10.3390/nano9091199
- V.N. Koparde and P.T. Cummings, J. Phys. Chem. C. 111 (19), 6920–6926 (2007). doi: 10.1021/jp0666380
- A.V. Bandura and J.D. Kubicki, J. Phys. Chem. B. 107 (40), 11072–11081 (2003). doi: 10.1021/jp034093t
- E.G. Brandt and A.P. Lyubartsev, J. Phys. Chem. C. 119 (32), 18110–18125 (2015). doi: 10.1021/acs.jpcc.5b02669
- U. Diebold, Surf. Sci. Rep. 48, 53–229 (2003). doi: 10.1016/S0167-5729(02)00100-0
- M. Ramamoorthy, D. Vanderbilt and R.D. King-Smith, Phys. Rev. B. 49 (23), 16721–16727 (1994). doi: 10.1103/PhysRevB.49.16721
- Z. Futera and N.J. English, J. Phys. Chem. C. 120, 19603–19612 (2016). doi: 10.1021/acs.jpcc.6b01907
- W.S. Yang, D. Wei, X.C. Jin, C.B. Xu, Z.H. Geng, Q. Guo, Z.B. Ma, D.X. Dai, H.J. Fan and X.M. Yang, J. Phys. Chem. Lett. 7, 603–608 (2016). doi: 10.1021/acs.jpclett.6b00015
- I. Sukuba, L. Chen, M. Probst, and A. Kaiser, RSCAdv 2020, 4293–4299 (2018).
- V. Quaranta, J. Behler and M. Hellström, J. Phys. Chem. C. 123, 1293–1304 (2019). doi: 10.1021/acs.jpcc.8b10781
- V. Quaranta, M. Hellström and J. Behler, J. Phys. Chem. Lett. 8, 1476–1483 (2017). doi: 10.1021/acs.jpclett.7b00358
- T. Morawietz and J. Behler, J. Phys. Chem. A. 117, 7356–7366 (2013). doi: 10.1021/jp401225b
- S. Grimme, J. Antony, S. Ehrlich and H. Krieg, J. Chem. Phys. 132, 154104 (2010). doi: 10.1063/1.3382344
- I.M. Svishchev and P.G. Kusalik, J. Chem. Phys. 99, 3049–3058 (1993). doi: 10.1063/1.465158
- R.S. Kavathekar, N.J. English and J.M.D. MacElroy, Chem. Phys. Lett. 554, 102–106 (2012). doi: 10.1016/j.cplett.2012.10.004
- R.L. Kurtz, R. Stock-Bauer, T.S. Msdey, E. Roman and J.D. Segovia, Surf. Sci. 218, 178 (1989). doi: 10.1016/0039-6028(89)90626-2
- I.M. Brookes, C.A. Muryn and G. Thornton, Phys. Rev. Lett. 87, 266103 (2001). doi: 10.1103/PhysRevLett.87.266103
- L.E. Walle, A. Borg, P. Uvdal and A. Sandell, Phys. Rev. B. 80, 235436 (2009). doi: 10.1103/PhysRevB.80.235436
- G.S. Herman, Z. Dohnalek, N. Ruzycki and U. Diebold, J. Phys. Chem. B. 107, 2788–2795 (2003). doi: 10.1021/jp0275544
- L. Artiglia, A. Zana, G.A. Rizzi, S. Agnoli, F. Bondino, E. Magnano, E. Cavaliere, L. Gavioli and G. Granozzi, J. Phys. Chem. C. 116, 12532–12540 (2012). doi: 10.1021/jp300614n
- J.P. Perdew, K. Burke and M. Ernzerhof, Phys. Rev. Lett. 80, 891 (1998). doi: 10.1103/PhysRevLett.80.891
- P. Dev, S. Agrawal and N.J. English, J. Phys. Chem. A. 117, 2114–2124 (2013). doi: 10.1021/jp306153e
- P.E. Blöchl, Phys. Rev. B. 50, 17953 (1994). doi: 10.1103/PhysRevB.50.17953
- G. Kresse and J. Furthmuller, Phys. Rev. B. 54, 11169 (1996). doi: 10.1103/PhysRevB.54.11169
- H.-W. Wang, M.J. Dello Stritto, N. Kumar, A.I. Kolesnikov, P.R.C. Kent, J.D. Kubicki, D.J. Wesolowski and J.O. Sofo, J. Phys. Chem. C. 118, 10805–10813 (2014). doi: 10.1021/jp500954v
- K.S. Finnie, D.J. Cassidy, J.R. Bartlett and J.L. Woolfrey, Langmuir 17, 816–820 (2001). doi: 10.1021/la0009240
- G.A. Kimmel, M. Baer, N.G. Petrik, J. VandeVondele, R. Rousseau and C.J. Mundy, J. Phys. Chem. Lett. 3, 778–784 (2012). doi: 10.1021/jz3001079
- S. Dzwigaj, C. Arrouvel, M. Breysse, C. Geantet, S. Inoue, H. Toulhoat and P. Raybaud, J. Catal. 236, 245–250 (2005). doi: 10.1016/j.jcat.2005.09.034
- M. Zobel, R.B. Neder and S.A. Kimber, Science. 347, 292–294 (2015). doi: 10.1126/science.1261412
- M. Zobel, Acta Cryst. A72, 621–631 (2016).
- T. Bredow and K. Jug, Surf. Sci. 327, 398–408 (1995). doi: 10.1016/0039-6028(94)00851-5
- M. Předota, A.V. Bandura, P.T. Cummings, J.D. Kubicki, D.J. Wesolowski, A.A. Chialvo and M.L. Machesky, J. Phys. Chem. B. 108, 12049–12060 (2004). doi: 10.1021/jp037197c
- B. Rotenberg, A.J. Patel and D. Chandler, J. Am Chem Soc. 133, 20521–20527 (2011). doi: 10.1021/ja208687a