Adsorption of hydrogen and deuterium atoms on the (0001) graphite surface

被引:234
作者
Zecho, T
Güttler, A
Sha, XW
Jackson, B
Küppers, J
机构
[1] Max Planck Inst Plasma Phys, EURATOM Assoc, D-95748 Garching, Germany
[2] Univ Bayreuth, D-95440 Bayreuth, Germany
[3] Univ Massachusetts, Dept Chem, Amherst, MA 01003 USA
关键词
D O I
10.1063/1.1511729
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Adsorption of H and D on HOPG surfaces was studied with thermal desorption (TDS), electronic (ELS), and high-resolution electron-energy-loss (HREELS) spectroscopies. After admission of H (D) from thermal (2000 K) atom sources to clean graphite surfaces TD spectra revealed recombinative molecular H-2 (D-2) desorption in a main peak around 445 K (490 K) and a minor peak at 560 K (580 K). After admission of higher fluences the main peak shifts to 460 K (500 K) and develops a shoulder at 500 K (540 K). The saturation coverages were calculated as 0.4+/-0.2 for H and D and initial sticking coefficients of 0.4+/-0.2 were obtained. Through leading edge analysis of the TD spectra desorption activation energies for H and D were determined as 0.6 and 0.95 eV, respectively. EL spectra suggest a 16% loss of the sp(2) character of the surface carbon 2sp electrons upon D adsorption. HREEL spectra of H (D) graphite covered surfaces reveal in addition to two graphite-intrinsic optical phonon losses vibrational features at 1210 and 2650 cm 21 (and 640 and 1950 cm(-1)). These frequencies are in excellent agreement with those obtained from a recently published H (D)/graphite potential energy surface. A theoretical description of the desorption process through calculated H+H/graphite potential surfaces reveals the desorption mechanism and desorption activation energies which are in good agreement with the measured data. (C) 2002 American Institute of Physics.
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页码:8486 / 8492
页数:7
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