Kinetic Monte Carlo simulations of the temperature programmed desorption of deuterium (D₂) from diamond C (100) surface

Authors

Rovi Angelo B. Villaos ⋅ PH Institute of Mathematical Sciences and Physics, University of the Philippines Los Baños
Allan Abraham B. Padama ⋅ PH Institute of Mathematical Sciences and Physics, University of the Philippines Los Baños
Jason R. Albia ⋅ PH Institute of Mathematical Sciences and Physics, University of the Philippines Los Baños
Marvin A. Albao ⋅ PH Institute of Mathematical Sciences and Physics, University of the Philippines Los Baños

Abstract

Kinetic Monte Carlo (kMC) simulations of a suitable atomistic lattice-gas model describing the temperature-programmed desorption (TPD) of deuterium (D2) from diamond C(100) surface were performed to gain further insights into the various microscopic processes involved. Results showed that initial deposited D2 coverage has no effect on the temperature peaks of the TPD spectra. Desorption barrier and lateral interaction between D2 atoms affect the location of the TPD spectra. TPD curves shift to lower (higher) temperature when the lateral interaction is repulsive (attractive). Higher (lower) desorption barrier results to higher (lower) temperature peak.

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Issue

2015: Proceedings of the 33rd Samahang Pisika ng Pilipinas Physics Congress

Article ID

SPP-2015-1B-04

Section

Condensed Matter Physics and Materials Science

Published

2015-06-03

How to Cite

[1]

RAB Villaos, AAB Padama, JR Albia, and MA Albao, Kinetic Monte Carlo simulations of the temperature programmed desorption of deuterium (D2) from diamond C (100) surface, Proceedings of the Samahang Pisika ng Pilipinas 33, SPP-2015-1B-04 (2015). URL: https://proceedings.spp-online.org/article/view/1093.