Heteroatom Functionalization of H-Terminated Diamond Surfaces

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Li, Chenxi ; Oliveira, Eliezer F. ; Biswas, Abhijit ; Puthirath, Anand B. ; Zhang, Xiang ; Pramanik, Atin ; Garratt, Elias J. ; Neupane, Mahesh R. ; Pate, Bradford B. ; Birdwell, Anthony Glen ; Ivanov, Tony G. ; Terlier, Tanguy ; Vajtai, Robert ; Ajayan, Pulickel M.

• Tipo de documento: Artigo Científico
• Fonte: ACS APPLIED MATERIALS & INTERFACES; v. N/A, p. 9-pg., 2023-08-09.

Resumo

Diamond surface functionalization has received significantresearchinterest recently. Specifically, H-termination has been widely adoptedbecause it endows the diamond surface with negative electron affinityand the hole carrier is injected in the presence of surface transferdopants. Exploring different functional groups' attachmenton diamond surfaces and their impact on the electronic structure,using wet and dry chemical approaches, would hence be of interestin engineering diamond as a semiconductor. Here, we report the functionalizationof the H-terminated diamond surface with nitrogen and sulfur heteroatoms.Surface characterization of functionalized diamond surfaces showsthat these groups are well-distributed and covalently bonded to diamonds.Four chemical functional groups (-SH, -S-S-,-S-O, and -S=O) were found on the sulfurizeddiamond surface, and two groups (-NH2 and =NH) uponamination. We also report co-functionalization of surface with N andS (N-S), where sulfurization promotes sequential aminationefficiency with reduced exposure time. Electrical measurement showsthat heteroatom-modified diamond surfaces possess higher conductivitythan H-terminated diamonds. Density functional theory (DFT) showsthat upon functionalization with various N/S ratios, the conductionband minimum and valence band maximum downshift, which lowers thebandgap in comparison to an H-terminated diamond. These observationssuggest the possibility of heteroatom functionalizations with enhancedsurface electrical conductivity on the diamond that are useful forvarious electronic applications. (AU)

• Processo FAPESP: 13/08293-7 - CECC - Centro de Engenharia e Ciências Computacionais
• Beneficiário: Munir Salomao Skaf
• Modalidade de apoio: Auxílio à Pesquisa - Centros de Pesquisa, Inovação e Difusão - CEPIDs