TY - JOUR
T1 - Fermi level pinning and the charge transfer contribution to the energy of adsorption at semiconducting surfaces
AU - Krukowski, Stanisław
AU - Kempisty, Paweł
AU - Strak, Paweł
AU - Sakowski, Konrad
N1 - Publisher Copyright:
© 2014 AIP Publishing LLC.
Copyright:
Copyright 2021 Elsevier B.V., All rights reserved.
PY - 2014/1/28
Y1 - 2014/1/28
N2 - It is shown that charge transfer, the process analogous to formation of semiconductor p-n junction, contributes significantly to adsorption energy at semiconductor surfaces. For the processes without the charge transfer, such as molecular adsorption of closed shell systems, the adsorption energy is determined by the bonding only. In the case involving charge transfer, such as open shell systems like metal atoms or the dissociating molecules, the energy attains different value for the Fermi level differently pinned. The Density Functional Theory (DFT) simulation of species adsorption at different surfaces, such as SiC(0001) or GaN(0001) confirms these predictions: the molecular adsorption is independent on the coverage, while the dissociative process adsorption energy varies by several electronvolts.
AB - It is shown that charge transfer, the process analogous to formation of semiconductor p-n junction, contributes significantly to adsorption energy at semiconductor surfaces. For the processes without the charge transfer, such as molecular adsorption of closed shell systems, the adsorption energy is determined by the bonding only. In the case involving charge transfer, such as open shell systems like metal atoms or the dissociating molecules, the energy attains different value for the Fermi level differently pinned. The Density Functional Theory (DFT) simulation of species adsorption at different surfaces, such as SiC(0001) or GaN(0001) confirms these predictions: the molecular adsorption is independent on the coverage, while the dissociative process adsorption energy varies by several electronvolts.
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U2 - 10.1063/1.4863338
DO - 10.1063/1.4863338
M3 - Article
AN - SCOPUS:84907487462
VL - 115
JO - Journal of Applied Physics
JF - Journal of Applied Physics
SN - 0021-8979
IS - 4
M1 - 043529
ER -