Next Article in Journal
A Structured Approach for the Mitigation of Natural Methane Emissions—Lessons Learned from Anthropogenic Emissions
Next Article in Special Issue
Plasma Treatments and Light Extraction from Fluorinated CVD-Grown (400) Single Crystal Diamond Nanopillars
Previous Article in Journal
Carbons as Catalysts in Thermo-Catalytic Hydrocarbon Decomposition: A Review
Previous Article in Special Issue
Fluorescence and Physico-Chemical Properties of Hydrogenated Detonation Nanodiamonds
Review

The Combined Influence of Dopant Species and Surface Termination on the Electronic Properties of Diamond Surfaces

Department of Chemistry-Ångström Laboratory, Uppsala University, Lägerhyddsvägen 1, 75121 Uppsala, Sweden
Received: 20 January 2020 / Revised: 27 March 2020 / Accepted: 9 April 2020 / Published: 15 April 2020
The combined effects of geometrical structure and chemical composition on the diamond surface electronic structures have been investigated in the present study by using high-level theoretical calculations. The effects of diamond surface planes [(111) vs. (100)], surface terminations (H, F, OH, Oontop, Obridge, vs. NH2), and substitutional doping (B, N vs. P), were of the largest interest to study. As a measure of different electronic structures, the bandgaps, work functions, and electron affinities have been used. In addition to the effects by the doping elements, the different diamond surface planes [(111) vs. (100)] were also observed to cause large differences in the electronic structures. With few exceptions, this was also the case for the surface termination species. For example, Oontop-termination was found to induce surface electron conductivities for all systems in the present study (except for a non-doped (100) surface). The other types of surface terminating species induced a reduction in bandgap values. The calculated bandgap ranges for the (111) surface were 3.4–5.7 (non-doping), and 0.9–5.3 (B-doping). For the (100) surface, the ranges were 0.9–5.3 (undoping) and 3.2–4.3 (B-doping). For almost all systems in the present investigation, it was found that photo-induced electron emission cannot take place. The only exception is the non-doped NH2-terminated diamond (111) surface, for which a direct photo-induced electron emission is possible. View Full-Text
Keywords: diamond; doping; surface termination; electronic structure; band gap; work function; electron affinity; electron emission diamond; doping; surface termination; electronic structure; band gap; work function; electron affinity; electron emission
Show Figures

Graphical abstract

MDPI and ACS Style

Larsson, K. The Combined Influence of Dopant Species and Surface Termination on the Electronic Properties of Diamond Surfaces. C 2020, 6, 22. https://doi.org/10.3390/c6020022

AMA Style

Larsson K. The Combined Influence of Dopant Species and Surface Termination on the Electronic Properties of Diamond Surfaces. C. 2020; 6(2):22. https://doi.org/10.3390/c6020022

Chicago/Turabian Style

Larsson, Karin. 2020. "The Combined Influence of Dopant Species and Surface Termination on the Electronic Properties of Diamond Surfaces" C 6, no. 2: 22. https://doi.org/10.3390/c6020022

Find Other Styles
Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Article Access Map by Country/Region

1
Back to TopTop