Energy dissipation at metal surfaces

References

• J.C. Tully, Annu. Rev. Phys. Chem. 31 (1980) p.319–343.
   Web of Science ®Google Scholar
• A. Groß, Theoretical Surface Science: A Microscopic Perspective, 2nd ed., Springer, Heidelberg, 2009.
   Google Scholar
• J.C. Tully, Annu. Rev. Phys. Chem. 51 (2000) p.153–178.
   PubMed Web of Science ®Google Scholar
• A.M. Wodtke, J.C. Tully and D.J. Auerbach, Int. Rev. Phys. Chem. 23 (2004) p.513–539.
   Web of Science ®Google Scholar
• E. Hasselbrink, Curr. Opin. Solid St. M. 10 (2006) p.192–204.
   Web of Science ®Google Scholar
• I. Rahinov, R. Cooper, D. Matsiev, C. Bartels, D.J. Auerbach and A.M. Wodtke, Phys. Chem. Chem. Phys. 13 (2011) p.12680–12692.
   PubMed Web of Science ®Google Scholar
• A.M. Wodtke, Chem. Soc. Rev. 45 (2016) p.3641–3657.
   PubMed Web of Science ®Google Scholar
• K. Golibrzuch, N. Bartels, D.J. Auerbach and A.M. Wodtke, Annu. Rev. Phys. Chem. 66 (2015) p.399–425.
   PubMed Web of Science ®Google Scholar
• I. Chorkendorff and J.W. Niemantsverdriet, Kinetics of reactions on surfaces, chap. 7, Concepts of Modern Catalysis and Kinetics, Wiley-VCH, Weinheim, 2005, pp. 267–299.
   Google Scholar
• K. Reuter, First-principles kinetic monte carlo simulations for heterogeneous catalysis: Concepts, status and frontiers, in Modeling and Simulation of Heterogeneous Catalytic Reactions: From the Molecular Process to the Technical System, O. Deutschman, ed., Wiley VCH, Weinheim, 2011, pp. 77–111.
   Google Scholar
• K. Reuter, Catal. Lett. 146 (2016) p.541–563.
   Web of Science ®Google Scholar
• M.K. Sabbe, M.F. Reyniers and K. Reuter, Catal: Sci. Technol. 2 (2012) p.2010–2024.
   Google Scholar
• K.W. Kolasinski, Surface Science: Foundations of Catalysis and Nanoscience, 3rd ed., John Wiley & Sons, Hoboken, New Jersey, USA, 2012.
   Google Scholar
• A.C. Luntz, Dynamics of gas-surface interactions, chap. 47, Surface and Interface Science, Wiley-VCH, Weinheim, 2016, pp. 1255–1314.
   Google Scholar
• A.J. Cohen, P. Mori-Sánchez and W. Yang, Science 321 (2008) p.792–794.
   PubMed Web of Science ®Google Scholar
• J.K. Nørskov, F. Abild-Pedersen, F. Studt and T. Bligaard, Proc. Nat. Acad. Sci. USA 108 (2011) p.937–943.
   PubMed Web of Science ®Google Scholar
• A. Groß, Surf. Sci. 500 (2002) p.347–367.
   Web of Science ®Google Scholar
• M. Scheffler and C. Stampfl, Theory of adsorption on metal substrates, chap. 5, in Electronic Structure, Handbook of Surface Science, Vol 2, K. Horn and M. Scheffler, eds., Elsevier, Amsterdam, 2000, pp. 285–356.
   Google Scholar
• A. Groß, Phys. Rev. Lett. 103 (2009) p.246101.
   PubMed Web of Science ®Google Scholar
• J.K. Nørskov, T. Bligaard, J. Rossmeisl and C.H. Christensen, Nat. Chem. 1 (2009) p.37–46.
   PubMed Web of Science ®Google Scholar
• C.T. Rettner, D.J. Auerbach, J.C. Tully and A.W. Kleyn, J. Phys. Chem. 100 (1996) p.13021–13033.
   Web of Science ®Google Scholar
• L. Vattuone, G. Bracco, M. Smerieri, L. Savio and M. Rocca, Supersonic molecular beams studies of surfaces, chap. 1, in Dynamics of Gas-surface Interactions: Atomic-level Understanding of Scattering Processes at Surfaces, R. Díez Muiño and H.F. Busnengo, eds., Springer, Heidelberg, 2013, pp. 1–23.
   Google Scholar
• H. Chadwick and R.D. Beck, Chem. Soc. Rev. 45 (2016) p.3576–3594.
   PubMed Web of Science ®Google Scholar
• A. Groß and M. Scheffler, Prog. Surf. Sci. 53 (1996) p.187–196.
   Web of Science ®Google Scholar
• A. Groß and M. Scheffler, Phys. Rev. B 57 (1998) p.2493–2506.
   Web of Science ®Google Scholar
• A. Groß, Surf. Sci. Rep. 32 (1998) p.291–340.
   Web of Science ®Google Scholar
• D.A. McCormack, G. Kroes, R.A. Olsen, J.A. Groeneveld, J.N.P. van Stralen, E.J. Baerends and R.C. Mowrey, Faraday Discuss. 117 (2000) p.109–132.
   Web of Science ®Google Scholar
• G.J. Kroes, A. Groß, E.J. Baerends, M. Scheffler and D.A. McCormack, Acc. Chem. Res. 35 (2002) p.193–200.
   PubMed Web of Science ®Google Scholar
• C. Díaz, J.K. Vincent, G.P. Krishnamohan, R.A. Olsen, G.J. Kroes, K. Honkala and J.K. Nørskov, Phys. Rev. Lett. 96 (2006) p.096102.
   PubMed Web of Science ®Google Scholar
• B. Jiang and H. Guo, J. Chem. Phys. 144 (2016) p.091101.
   PubMed Web of Science ®Google Scholar
• X. Shen, Z. Zhang and D.H. Zhang, J. Chem. Phys. 144 (2016) p.101101.
   PubMed Web of Science ®Google Scholar
• J. Behler, S. Lorenz and K. Reuter, J. Chem. Phys. 127 (2007) p.014705.
   PubMed Web of Science ®Google Scholar
• H.F. Busnengo, A. Salin and W. Dong, J. Chem. Phys. 112 (2000) p.7641–7651.
   Web of Science ®Google Scholar
• V.J. Bukas, J. Meyer, M. Alducin, K. Reuter, Z. Phys. Chem. 227 (2013) p.1523–1542.
   Web of Science ®Google Scholar
• A. Groß, Surf. Sci. 606 (2012) p.690–691.
   Web of Science ®Google Scholar
• A. Groß, Appl. Phys. A 67 (1998) p.627–635.
   Web of Science ®Google Scholar
• G.J. Kroes and C. Díaz, Chem. Soc. Rev. 45 (2016) p.3658.
   PubMed Web of Science ®Google Scholar
• G.J. Kroes, Science 321 (2008) p.794.
   PubMed Web of Science ®Google Scholar
• C. Díaz, E. Pijper, R.A. Olsen, H.F. Busnengo, D.J. Auerbach and G.J. Kroes, Science 326 (2009) p.832.
   PubMed Web of Science ®Google Scholar
• H. Guo, A. Farjamnia and B. Jackson, J. Phys. Chem. Lett. 7 (2016) p.4576–4584.
   PubMed Web of Science ®Google Scholar
• B. Jiang, M. Yang, D. Xie and H. Guo, Chem. Soc. Rev. 45 (2016) p.3621–3640.
   PubMed Web of Science ®Google Scholar
• J. Behler and M. Parrinello, Phys. Rev. Lett. 98 (2007) p.146401.
   PubMed Web of Science ®Google Scholar
• J. Behler, J. Chem. Phys. 134 (2011) p.074106.
   PubMed Web of Science ®Google Scholar
• J. Behler, J. Chem. Phys. 145 (2016) p.170901.
   PubMed Web of Science ®Google Scholar
• B. Kolb, X. Luo, X. Zhou, B. Jiang and H. Guo, J. Phys. Chem. Lett. 8 (2017) p.666–672.
   PubMed Web of Science ®Google Scholar
• K. Shakouri, J. Behler, J. Meyer and G.J. Kroes, J. Phys. Chem. Lett. 8 (2017) p.2131–2136.
   PubMed Web of Science ®Google Scholar
• M. Hand and J. Harris, J. Chem. Phys. 92 (1990) p.7610–7617.
   Web of Science ®Google Scholar
• A. Luntz and J. Harris, Surf. Sci. 258 (1991) p.397–426.
   Web of Science ®Google Scholar
• S.A. Adelman and J.D. Doll, J. Chem. Phys. 64 (1976) p.2375–2388.
   Web of Science ®Google Scholar
• M. Shugard, J.C. Tully and A. Nitzan, J. Chem. Phys. 66 (1977) p.2534–2544.
   Web of Science ®Google Scholar
• J.C. Tully, J. Chem. Phys. 73 (1980) p.1975–1985.
   Web of Science ®Google Scholar
• J.C. Polanyi and R.J. Wolf, J. Chem. Phys. 82 (1985) p.1555–1566.
   Web of Science ®Google Scholar
• M. Dohle and P. Saalfrank, Surf. Sci. 373 (1997) p.95–108.
   Web of Science ®Google Scholar
• H.F. Busnengo, W. Dong, P. Sautet and A. Salin, Phys. Rev. Lett. 87 (2001) p.127601.
   PubMed Web of Science ®Google Scholar
• E. Watts and G.O. Sitz, J. Chem. Phys. 111 (1999) p.9791–9796.
   Web of Science ®Google Scholar
• Z.S. Wang, G.R. Darling and S. Holloway, Phys. Rev. Lett. 87 (2001) p.226102.
   PubMed Web of Science ®Google Scholar
• H.F. Busnengo, W. Dong and A. Salin, Phys. Rev. Lett. 93 (2004) p.236103.
   PubMed Web of Science ®Google Scholar
• H.F. Busnengo, M.A. Di Césare, W. Dong and A. Salin, Phys. Rev. B 72 (2005) p.125411.
   Web of Science ®Google Scholar
• V.J. Bukas, S. Mitra, J. Meyer and K. Reuter, J. Chem. Phys. 143 (2015) p.034705.
   PubMed Web of Science ®Google Scholar
• A. den Dunnen, S. Wiegman, L. Jacobse and L.B.F. Juurlink, J. Chem. Phys. 142 (2015) p.214708.
   PubMed Web of Science ®Google Scholar
• L. Martin-Gondre, M. Alducin, G.A. Bocan and R. Díez Muiño, and J.I. Juaristi, Phys. Rev. Lett. 108 (2012) p.096101.
   PubMed Web of Science ®Google Scholar
• L. Martin-Gondre, M. Alducin, G.A. Bocan and R. Díez Muiño, and J.I. Juarist, Phys. Rev. Lett. 108 (2012) p.139901(E).
   Web of Science ®Google Scholar
• M. Blanco-Rey, E. Díaz, G.A. Bocan and R. Díez Muiño, M. Alducin, and J.I. Juaristi, J. Phys. Chem. Lett. 4 (2013) p.3704–3709.
   Web of Science ®Google Scholar
• R. Pétuya, P.A. Plötz, C. Crespos and P. Larrégaray, J. Phys. Chem. C 118 (2014) p.21904–21910.
   Web of Science ®Google Scholar
• I. Goikoetxea, J. Meyer, J.I. Juaristi, M. Alducin and K. Reuter, Phys. Rev. Lett. 112 (2014) p.156101.
   PubMed Web of Science ®Google Scholar
• J.P. Toennies, J. Phys. Condens. Matter 5 (1993) p.A25.
   Web of Science ®Google Scholar
• M.D. Stiles and J.W. Wilkins, Phys. Rev. Lett. 54 (1985) p.595–598.
   PubMed Web of Science ®Google Scholar
• M.D. Stiles, J.W. Wilkins and M. Persson, Phys. Rev. B 34 (1986) p.4490–4510.
   Web of Science ®Google Scholar
• B. Jackson, Comput. Phys. Commun. 80 (1994) p.119–144.
   Web of Science ®Google Scholar
• M. Dohle, P. Saalfrank and T. Uzer, Surf. Sci. 409 (1998) p.37–45.
   Web of Science ®Google Scholar
• M. Dohle, P. Saalfrank and T. Uzer, J. Chem. Phys. 108 (1998) p.4226–4236.
   Web of Science ®Google Scholar
• D.J. Auerbach, Phys. Scri. 1983 (1983) p.122.
   Web of Science ®Google Scholar
• A.S. Sanz and S. Miret-Artés, Phys. Rep. 451 (2007) p.37–154.
   Web of Science ®Google Scholar
• C. Carbogno, A. Groß, J. Meyer and K. Reuter, Dynamics of gas-surface interactions: Atomic-level understanding of scattering processes at surfaces, chap. 16, in Dynamics of Gas-surface Interactions: Atomic-level Understanding of Scattering Processes at Surfaces, R. Díez Muiño and F.H. Busnengo, eds., Springer, Heidelberg, 2013, pp. 389–419.
   Google Scholar
• V.J. Bukas and K. Reuter, J. Chem. Phys. 146 (2017) p.014702.
   PubMed Web of Science ®Google Scholar
• A.C. Luntz and R.D. Beck, J. Vac. Sci. Technol. A 35 (2017) p.05C201.
   Web of Science ®Google Scholar
• P.M. Hundt, B. Jiang, M.E. van Reijzen, H. Guo and R.D. Beck, Science 344 (2014) p.504–507.
   PubMed Web of Science ®Google Scholar
• X. Zhou, B. Kolb, X. Luo, H. Guo and B. Jiang, J. Phys. Chem. C 121 (2017) p.5594–5602.
   Web of Science ®Google Scholar
• A.K. Tiwari, S. Nave and B. Jackson, Phys. Rev. Lett. 103 (2009) p.253201.
   PubMed Web of Science ®Google Scholar
• A.K. Tiwari, S. Nave and B. Jackson, J. Chem. Phys. 132 (2010) p.134702.
   PubMed Web of Science ®Google Scholar
• B. Jackson, The effects of lattice motion on gas-surface reactions, chap. 9, in Dynamics of Gas-Surface Interactions: Atomic-level Understanding of Scattering Processes at Surfaces, R. Díez Muiño and H.F. Busnengo, eds., Springer, Heidelberg, 2013, pp. 213–237.
   Google Scholar
• B. Jackson and S. Nave, J. Chem. Phys. 138 (2013) p.174705.
   PubMed Web of Science ®Google Scholar
• A. Groß, Dynamics of reactions at surfaces, chap. 2, in Modeling and Simulation of Heterogeneous Catalytic Reactions, Wiley-VCH, Weinheim, 2011, pp. 39–70.
   Google Scholar
• F. Nattino, H. Ueta, H. Chadwick, M.E. van Reijzen, R.D. Beck, B. Jackson, M.C. van Hemert and G.J. Kroes, J. Phys. Chem. Lett. 5 (2014) p.1294–1299.
   PubMed Web of Science ®Google Scholar
• F. Nattino, C. Díaz, B. Jackson and G.J. Kroes, Phys. Rev. Lett. 108 (2012) p.236104.
   PubMed Web of Science ®Google Scholar
• G. Füchsel, M. del Cueto, C. Díaz and G.J. Kroes, J. Phys. Chem. C 120 (2016) p.25760–25779.
   Web of Science ®Google Scholar
• F. Nattino, F. Costanzo and G.J. Kroes, J. Chem. Phys. 142 (2015) p.104702.
   PubMed Web of Science ®Google Scholar
• F. Nattino, D. Migliorini, M. Bonfanti and G.J. Kroes, J. Chem. Phys. 144 (2016) p.044702.
   PubMed Web of Science ®Google Scholar
• A. Groß, Catal. Today 260 (2016) p.60–65.
   Web of Science ®Google Scholar
• F. Nattino, O. Galparsoro, F. Costanzo and R. Díez Muiño, M. Alducin, and G.J. Kroes, J. Chem. Phys. 144 (2016) p.244708.
   PubMed Web of Science ®Google Scholar
• P.R. Shirhatti, J. Geweke, C. Steinsiek, C. Bartels, I. Rahinov, D.J. Auerbach and A.M. Wodtke, J. Phys. Chem. Lett. 7 (2016) p.1346–1350.
   PubMed Web of Science ®Google Scholar
• B. Kolb and H. Guo, J. Chem. Phys. 145 (2016) p.011102.
   PubMed Web of Science ®Google Scholar
• J. Behler, B. Delley, S. Lorenz, K. Reuter and M. Scheffler, Phys. Rev. Lett. 94 (2005) p.036104.
   PubMed Web of Science ®Google Scholar
• C. Carbogno, J. Behler, A. Groß and K. Reuter, Phys. Rev. Lett. 101 (2008) p.096104.
   PubMed Web of Science ®Google Scholar
• F. Libisch, C. Huang, P. Liao, M. Pavone and E.A. Carter, Phys. Rev. Lett. 109 (2012) p.198303.
   PubMed Web of Science ®Google Scholar
• Y. Huang, A.M. Wodtke, H. Hou, C.T. Rettner and D.J. Auerbach, Phys. Rev. Lett. 84 (2000) p.2985–2988.
   PubMed Web of Science ®Google Scholar
• Y. Huang, C.T. Rettner, D.J. Auerbach and A.M. Wodtke, Science 290 (2000) p.111.
   PubMed Web of Science ®Google Scholar
• S. Li and H. Guo, J. Chem. Phys. 117 (2002) p.4499–4508.
   Web of Science ®Google Scholar
• J.C. Tully, Faraday Discuss. 110 (1998) p.407–419.
   Web of Science ®Google Scholar
• J.C. Tully, Nonadiabatic Dynamics, chap. 2, in Modern Methods for Multidimensional Dynamics Computations in Chemistry, D.L. Thompson, ed., World Scientific, Singapore, 1998, pp. 34–72.
   Google Scholar
• M. Lindenblatt and E. Pehlke, Phys. Rev. Lett. 97 (2006) p.216101.
   PubMed Web of Science ®Google Scholar
• M. Grotemeyer and E. Pehlke, Phys. Rev. Lett. 112 (2014) p.043201.
   PubMed Web of Science ®Google Scholar
• J.C. Tully, J. Chem. Phys. 93 (1990) p.1061–1071.
   Web of Science ®Google Scholar
• M.D. Hack and D.G. Truhlar, J. Phys. Chem. A 104 (2000) p.7917–7926.
   Web of Science ®Google Scholar
• N.A. Shenvi, S. Roy and J.C. Tully, J. Chem. Phys. 130 (2009) p.174107.
   PubMed Web of Science ®Google Scholar
• W. Dou and J.E. Subotnik, J. Chem. Theo. Comp. 13 (2017) p.2430–2439.
   PubMed Web of Science ®Google Scholar
• N.A. Shenvi, S. Roy and J.C. Tully, Science 326 (2009) p.829–832.
   PubMed Web of Science ®Google Scholar
• S. Roy, N.A. Shenvi and J.C. Tully, J. Chem. Phys. 130 (2009) p.174716.
   PubMed Web of Science ®Google Scholar
• M. Timmer and P. Kratzer, Phys. Rev. B 79 (2009) p.165407.
   Web of Science ®Google Scholar
• J. Meyer and K. Reuter, New J. Phys. 13 (2011) p.085010.
   Web of Science ®Google Scholar
• S. Rittmeyer, J. Meyer and K. Reuter, Phys. Rev. Lett. 119 (2017) p.176808. doi:10.1103/PhysRevLett.119.176808.
   PubMed Web of Science ®Google Scholar
• E.G. d’Agliano, P. Kumar, W. Schaich and H. Suhl, Phys. Rev. B 11 (1975) p.2122–2143.
   Web of Science ®Google Scholar
• Y. Li and G. Wahnström, Phys. Rev. Lett. 68 (1992) p.3444–3447.
   PubMed Web of Science ®Google Scholar
• M. Head-Gordon and J.C. Tully, J. Chem. Phys. 103 (1995) p.10137–10145.
   Web of Science ®Google Scholar
• W. Dou, A. Nitzan and J.E. Subotnik, J. Chem. Phys. 143 (2015) p.054103.
   PubMed Web of Science ®Google Scholar
• W. Dou and J.E. Subotnik, J. Chem. Phys. 146 (2017) p.092304.
   Web of Science ®Google Scholar
• W. Dou, G. Miao and J.E. Subotnik, Phys. Rev. Lett. 119 (2017) p.046001.
   PubMed Web of Science ®Google Scholar
• T.L. Ferrell and R.H. Ritchie, Phys. Rev. B 16 (1977) p.115–123.
   Web of Science ®Google Scholar
• P. Echenique, R. Nieminen and R. Ritchie, Solid State Commun. 37 (1981) p.779–781.
   Web of Science ®Google Scholar
• P. Sigmund, Phys. Rev. A 26 (1982) p.2497–2517.
   Web of Science ®Google Scholar
• K. Schönhammer and O. Gunnarsson, Energy dissipation at metal surfaces: The electron hole-pair mechanism, in Many-Body Phenomena at Surfaces, D. Langreth and H. Suhl, eds., Academic Press, Orlando, Florida, 1984, pp. 421–451.
   Google Scholar
• B. Hellsing and M. Persson, Phys. Scr. 29 (1984) p.360.
   Web of Science ®Google Scholar
• J.I. Juaristi, M. Alducin and R. Díez Muiño, H.F. Busnengo, and A. Salin, Phys. Rev. Lett. 100 (2008) p.116102.
   PubMed Web of Science ®Google Scholar
• M.J. Puska and R.M. Nieminen, Phys. Rev. B 27 (1983) p.6121–6128.
   Web of Science ®Google Scholar
• P.M. Echenique, R.M. Nieminen, J.C. Ashley and R.H. Ritchie, Phys. Rev. A 33 (1986) p.897–904.
   PubMed Web of Science ®Google Scholar
• P. Echenique and M. Uranga, Density functional theory of stopping power, in Interaction of Charged Particles with Solids and Surfaces, Nato ASI Series, Vol. 271, A. Gras-Marti, H.M. Urbassek, N.R. Arista and F. Flores, eds., Plenum Press, New York, 1991, pp. 39–71.
   Google Scholar
• M. Askerka, R.J. Maurer, V.S. Batista and J.C. Tully, Phys. Rev. Lett. 116 (2016) p.217601.
   PubMed Web of Science ®Google Scholar
• R.J. Maurer, M. Askerka, V.S. Batista and J.C. Tully, Phys. Rev. B 94 (2016) p.115432.
   Web of Science ®Google Scholar
• J. Trail, M. Graham and D. Bird, Comp. Phys. Comm. 137 (2001) p.163–173.
   Web of Science ®Google Scholar
• N. Lorente and M. Persson, Faraday Discuss. 117 (2000) p.277–290.
   Web of Science ®Google Scholar
• R.J. Maurer, B. Jiang, H. Guo and J.C. Tully, Phys. Rev. Lett. 118 (2017) p.256001.
   PubMed Web of Science ®Google Scholar
• J.R. Trail, M.C. Graham, D.M. Bird, M. Persson and S. Holloway, Phys. Rev. Lett. 88 (2002) p.166802.
   PubMed Web of Science ®Google Scholar
• J.R. Trail, D.M. Bird, M. Persson and S. Holloway, J. Chem. Phys. 119 (2003) p.4539–4549.
   Web of Science ®Google Scholar
• A.C. Luntz and M. Persson, J. Chem. Phys. 123 (2005) p.074704.
   PubMed Web of Science ®Google Scholar
• A.C. Luntz, M. Persson, S. Wagner, C. Frischkorn and M. Wolf, J. Chem. Phys. 124 (2006) p.244702.
   PubMed Web of Science ®Google Scholar
• A.C. Luntz, M. Persson and G.O. Sitz, J. Chem. Phys. 124 (2006) p.091101.
   PubMed Web of Science ®Google Scholar
• G. Füchsel, T. Klamroth, S. Monturet and P. Saalfrank, Phys. Chem. Chem. Phys. 13 (2011) p.8659–8670.
   PubMed Web of Science ®Google Scholar
• A.C. Luntz, I. Makkonen, M. Persson, S. Holloway, D.M. Bird and M.S. Mizielinski, Phys. Rev. Lett. 102 (2009) p.109601.
   PubMed Web of Science ®Google Scholar
• J.I. Juaristi, M. Alducin and R. Díez Muiño, H.F. Busnengo, and A. Salin, Phys. Rev. Lett. 102 (2009) p.109602.
   Web of Science ®Google Scholar
• F. Hirshfeld, Theor. Chim. Acta 44 (1977) p.129–138.
   Web of Science ®Google Scholar
• S.P. Rittmeyer, J. Meyer, J.I. Juaristi and K. Reuter, Phys. Rev. Lett. 115 (2015) p.046102.
   PubMed Web of Science ®Google Scholar
• I. Goikoetxea, J.I. Juaristi, M. Alducin and R. Díez Muiño, J. Phys. Condens. Matter 21 (2009) p.264007.
   PubMed Web of Science ®Google Scholar
• B. Jiang, M. Alducin and H. Guo, J. Phys. Chem. Lett. 7 (2016) p.327–331.
   PubMed Web of Science ®Google Scholar
• X. Luo, B. Jiang, J.I. Juaristi, M. Alducin and H. Guo, J. Chem. Phys. 145 (2016) p.044704.
   PubMed Web of Science ®Google Scholar
• A.S. Muzas, J.I. Juaristi, M. Alducin and R. Díez Muiño, G.J. Kroes, and C. Díaz, J. Chem. Phys. 137 (2012) p.064707.
   PubMed Web of Science ®Google Scholar
• G. Füchsel, S. Schimka and P. Saalfrank, J. Phys. Chem. A 117 (2013) p.8761–8769.
   PubMed Web of Science ®Google Scholar
• M. Head-Gordon and J.C. Tully, Phys. Rev. B 46 (1992) p.1853–1856.
   Web of Science ®Google Scholar
• V. Krishna and J.C. Tully, J. Chem. Phys. 125 (2006) p.054706.
   PubMed Web of Science ®Google Scholar
• M. Forsblom and M. Persson, J. Chem. Phys. 127 (2007) p.154303.
   PubMed Web of Science ®Google Scholar
• H. Arnolds, Prog. Surf. Sci. 86 (2011) p.1–40.
   Web of Science ®Google Scholar
• R. Cooper, C. Bartels, A. Kandratsenka, I. Rahinov, N. Shenvi, K. Golibrzuch, Z. Li, D.J. Auerbach, J.C. Tully and A.M. Wodtke, Angew. Chem. Int. Ed. 51 (2012) p.4954–4958.
   PubMed Web of Science ®Google Scholar
• J.T. Kindt, J.C. Tully, M. Head-Gordon and M.A. Gomez, J. Chem. Phys. 109 (1998) p.3629–3636.
   Web of Science ®Google Scholar
• L. Martin-Gondre, G. Bocan, M. Alducin, J. Juaristi and R. Díez Muiño, Comput. Theor. Chem. 990 (2012) p.126–131.
   Web of Science ®Google Scholar
• L. Martin-Gondre, G.A. Bocan, M. Blanco-Rey, M. Alducin, J.I. Juaristi and R. Díez Muiño, J. Phys. Chem. C 117 (2013) p.9779–9790.
   Web of Science ®Google Scholar
• G.J. Kroes, M. Pavanello, M. Blanco-Rey, M. Alducin and D.J. Auerbach, J. Chem. Phys. 141 (2014) p.054705.
   PubMed Web of Science ®Google Scholar
• S.M. Janke, M. Pavanello, G.J. Kroes, D. Auerbach, A.M. Wodtke, A. Kandratsenka, Z. Phys. Chem. 227 (2013) p.1467–1490.
   Web of Science ®Google Scholar
• O. Bünermann, H. Jiang, Y. Dorenkamp, A. Kandratsenka, S.M. Janke, D.J. Auerbach and A.M. Wodtke, Science 350 (2015) p.1346–1349.
   PubMed Web of Science ®Google Scholar
• S.M. Janke, D.J. Auerbach, A.M. Wodtke and A. Kandratsenka, J. Chem. Phys. 143 (2015) p.124708.
   PubMed Web of Science ®Google Scholar
• O. Galparsoro, R. Pétuya, J.I. Juaristi, C. Crespos, M. Alducin and P. Larrégaray, J. Phys. Chem. C 119 (2015) p.15434–15442.
   Web of Science ®Google Scholar
• O. Galparsoro, J.I. Juaristi, C. Crespos, M. Alducin and P. Larrégaray, J. Phys. Chem. C (2017).
   Google Scholar
• P. Saalfrank, Chem. Rev. 106 (2006) p.4116–4159.
   PubMed Web of Science ®Google Scholar
• B.N.J. Persson, J. Phys. C: Solid State Phys. 11 (1978) p.4251.
   Web of Science ®Google Scholar
• B. Persson and M. Persson, Surf. Sci. 97 (1980) p.609–624.
   Web of Science ®Google Scholar
• B. Persson and M. Persson, Solid State Commun. 36 (1980) p.175–179.
   Web of Science ®Google Scholar
• M. Persson and B. Hellsing, Phys. Rev. Lett. 49 (1982) p.662–665.
   Web of Science ®Google Scholar
• B. Hellsing, M. Persson and B. Lundqvist, Surf. Sci. 126 (1983) p.147–153.
   Web of Science ®Google Scholar
• B.N.J. Persson, J. Phys. C: Solid State Phys. 17 (1984) p.4741.
   Web of Science ®Google Scholar
• J.C. Tully, M. Gomez and M. Head-Gordon, J. Vac. Sci. Technol. A 11 (1993) p.1914–1920.
   Web of Science ®Google Scholar
• M. Morin, N.J. Levinos and A.L. Harris, J. Chem. Phys. 96 (1992) p.3950–3956.
   Web of Science ®Google Scholar
• P. Saalfrank, J.I. Juaristi, M. Alducin, M. Blanco-Rey and R. Díez Muiño, J. Chem. Phys. 141 (2014) p.234702.
   PubMed Web of Science ®Google Scholar
• M. Head-Gordon and J.C. Tully, J. Chem. Phys. 96 (1992) p.3939–3949.
   Web of Science ®Google Scholar
• M.S. Mizielinski, D.M. Bird, M. Persson and S. Holloway, J. Chem. Phys. 122 (2005) p.084710.
   PubMed Web of Science ®Google Scholar
• J. Barth, Surf. Sci. Rep. 40 (2000) p.75–149.
   Web of Science ®Google Scholar
• T. Ala-Nissila, R. Ferrando and S.C. Ying, Adv. Phys. 51 (2002) p.949–1078.
   Web of Science ®Google Scholar
• G. Wahnström, A.B. Lee and J. Strömquist, J. Chem. Phys. 105 (1996) p.326–336.
   Web of Science ®Google Scholar
• S.P. Rittmeyer, D.J. Ward, P. Gütlein, J. Ellis, W. Allison and K. Reuter, Phys. Rev. Lett. 117 (2016) p.196001.
   PubMed Web of Science ®Google Scholar
• A. Jardine, H. Hedgeland, G. Alexandrowicz, W. Allison and J. Ellis, Prog. Surf. Sci. 84 (2009) p.323–379.
   Web of Science ®Google Scholar
• A.P. Jardine, J. Ellis and W. Allison, J. Chem. Phys. 120 (2004) p.8724–8733.
   PubMed Web of Science ®Google Scholar
• A.P. Jardine, G. Alexandrowicz, H. Hedgeland, W. Allison and J. Ellis, Phys. Chem. Chem. Phys. 11 (2009) p.3355–3374.
   PubMed Web of Science ®Google Scholar
• A. Carley, P. Davies and M. Roberts, Catal. Lett. 80 (2002) p.25–34.
   Web of Science ®Google Scholar
• H. Brune, J. Wintterlin, R.J. Behm and G. Ertl, Phys. Rev. Lett. 68 (1992) p.624–626.
   PubMed Web of Science ®Google Scholar
• J. Wintterlin, R. Schuster and G. Ertl, Phys. Rev. Lett. 77 (1996) p.123–126.
   PubMed Web of Science ®Google Scholar
• B.G. Briner, M. Doering, H.P. Rust and A.M. Bradshaw, Phys. Rev. Lett. 78 (1997) p.1516–1519.
   Web of Science ®Google Scholar
• S. Schintke, S. Messerli, K. Morgenstern, J. Nieminen and W.D. Schneider, J. Chem. Phys. 114 (2001) p.4206–4209.
   Web of Science ®Google Scholar
• M. Rose, A. Borg, J. Dunphy, T. Mitsui, D. Ogletree and M. Salmeron, Surf. Sci. 561 (2004) p.69–78.
   Web of Science ®Google Scholar
• M.F. Hsieh, D.S. Lin, H. Gawronski and K. Morgenstern, J. Chem. Phys. 131 (2009) p.174709.
   PubMed Web of Science ®Google Scholar
• C. Sprodowski, M. Mehlhorn and K. Morgenstern, Z. Phys. Chem. 22 (2010) p.264005.
   Google Scholar
• M. Schmid, G. Leonardelli, R. Tscheließnig, A. Biedermann and P. Varga, Surf. Sci. 478 (2001) p.L355–L362.
   Web of Science ®Google Scholar
• A.J. Komrowski, J.Z. Sexton, A.C. Kummel, M. Binetti, O. Weiße and E. Hasselbrink, Phys. Rev. Lett. 87 (2001) p.246103.
   PubMed Web of Science ®Google Scholar
• V.J. Bukas and K. Reuter, Phys. Rev. Lett. 117 (2016) p.146101.
   PubMed Web of Science ®Google Scholar
• O. Galparsoro, R. Petuya, F. Busnengo, J.I. Juaristi, C. Crespos, M. Alducin and P. Larrégaray, Phys. Chem. Chem. Phys. 18 (2016) p.31378–31383.
   PubMed Web of Science ®Google Scholar
• C. Engdahl and G. Wahnström, Surf. Sci. 312 (1994) p.429–440.
   Web of Science ®Google Scholar
• M. Blanco-Rey, J.I. Juaristi and R. Díez Muiño, H.F. Busnengo, G.J. Kroes, and M. Alducin, Phys. Rev. Lett. 112 (2014) p.103203.
   PubMed Web of Science ®Google Scholar
• D. Novko, M. Blanco-Rey, J.I. Juaristi and M. Alducin, Phys. Rev. B 92 (2015) p.201411.
   Web of Science ®Google Scholar
• D. Novko, M. Blanco-Rey, J. Juaristi and M. Alducin, Nucl. Instrum. Meth. B 382 (2016) p.26–31.
   Web of Science ®Google Scholar
• P. Nieto, E. Pijper, D. Barredo, G. Laurent, R.A. Olsen, E.J. Baerends, G.J. Kroes and D. Farías, Science 312 (2006) p.86–89.
   PubMed Web of Science ®Google Scholar
• J. Meyer and K. Reuter, Angew. Chem. Int. Ed. 53 (2014) p.4721–4724.
   PubMed Web of Science ®Google Scholar
• M.S. Daw and M.I. Baskes, Phys. Rev. B 29 (1984) p.6443–6453.
   Web of Science ®Google Scholar
• M.I. Baskes, Phys. Rev. B 46 (1992) p.2727–2742.
   PubMed Web of Science ®Google Scholar
• B. Jackson, Comput. Phys. Commun. 63 (1991) p.154–170.
   Web of Science ®Google Scholar
• B. Jackson, J. Chem. Phys. 108 (1998) p.1131–1139.
   Web of Science ®Google Scholar