Abstract
The regularities of the electron energy dissipation found in the subsurface atomic layer are valid in the bulk of a solid, too. On the example of model graphite-based materials it is shown that energy losses in X-ray photoelectron spectra agree with the calculated valence electron excitation spectra in analogous unit cells. The control of conjugate electron transitions opens the way to gain new data on the geometry, character, and order of bonding between atoms in the sample by the conventional electron spectroscopy and quantum chemistry methods.
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References
G. Busca, Heterogeneous Catalytic Materials, Oxford: Elsevier B.V., UK (2014).
J. Sá, High Resolution XAS/XES: Analyzing Electronic Structures of Catalysis, CRC Press, USA, Boca Raton (2014).
G. Bunker, Introduction to XAFS: A Practical Guide to X-ray Absorption Fine Structure Spectroscopy, Cambridge University Press, UK, Cambridge (2010).
L. Ament, M. van Veenendaal, T. Devereaux, J. Hill, and J. van den Brink, Rev. Mod. Phys., 83, 705 (2011).
P. Brühwiler, O. Karis, and N. Mårtensson, Rev. Mod. Phys., 74, 703 (2002).
A. Cholach and V. Tapilin, J. Chem. Phys., 138, 104201 (2013).
A. R. Cholach and V. M. Tapilin, J. Struct. Chem., 56, No. 3, 589–595 (2015).
P. Giannozzi, S. Baroni, N. Bonini, et al., J. Phys.: Condens. Matter., 21, 395502 (2009).
A. R. Cholach, N. N. Bulgakov, and V. M. Tapilin, J. Struct. Chem., 52, S13–S20 (2011).
I. Asanov, A. Okotrub, A. Gusel'nikov, I. Yushina, D. Vyalikh, and L. Bulusheva, Carbon, 82, 446 (2015).
I. Asanov, L. Bulusheva, M. Dubois, N. Yudanov, A. Alexeev, T. Makarova, and A. Okotrub, Carbon, 59, 518 (2013).
S. Tougaard and I. Chorkendorff, Phys. Rev. B, 35, 6570 (1987).
J. Perdew, A. Ruzsinszky, G. Csonka, O. Vydrov, G. Scuseria, L. Constantin, X. Zhou, and K. Burke, Phys. Rev. Lett., 100, 136406 (2008).
P. Blochl, Phys. Rev. B, 50, 17953 (1994).
N. Marzari, D. Vanderbilt, A. De Vita, and M. Payne, Phys. Rev. Lett., 82, 3296 (1999).
H. Monkhorst and J. Pack, Phys. Rev. B, 13, 5188 (1976).
Ch.-H. Hu, P. Zhang, H.-Y. Liu, Sh.-Q. Wu, Y. Yang, and Z.-Z. Zhu, J. Phys. Chem. C, 117, 3572 (2013).
N. Ooi, A. Rairkar, and J. Adams, Carbon, 44, 231 (2006).
O. Sedelnikova, L. Bulusheva, and A. Okotrub, Synth. Met., 160, 1848 (2010).
J. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett., 77, 3865 (1996).
D. Briggs and M. Seach, Practical Surface Analysis by Auger and X-ray Photoelectron Spectroscopy, Wiley & Sons, USA, NY (1983).
D. Woodruff and T. Delchar, Modern Techniques of Surface Science, Cambridge Univ. Press, UK, Cambridge (1994).
O. Sedelnikova, L. Bulusheva, I. Asanov, I. Yushina, and A. Okotrub, Appl. Phys. Lett., 104, 161905 (2014).
K.-D. Tsuei, J.-Y. Yuh, C.-T. Tzeng, R.-Y. Chu, S.-C. Chung, and K.-L. Tsang, Phys. Rev. B, 56, 15412 (1997).
E. Taft and H. Phillipp, Phys. Rev., 138, A197 (1965).
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Translated from Zhurnal Strukturnoi Khimii, Vol. 58, No. 6, pp. 1208–1213, July–August, 2017.
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Cholach, A.R., Asanov, I.P. & Bryliakova, A.A. Identification of conjugate electron transitions in X-ray photoelectron spectra. J Struct Chem 58, 1160–1165 (2017). https://doi.org/10.1134/S0022476617060130
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DOI: https://doi.org/10.1134/S0022476617060130