Boron-terminated diamond (100) surfaces with promising structural and electronic properties

Sun, Zhen; Yang, Mingchao; Wang, Xueting; Wang, Peng; Zhang, Chunyu; Gao, Nan; Li, Hongdong

doi:10.1039/d0cp00121j

Cited by 24 publications

(13 citation statements)

References 43 publications

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“…A comprehensive global surface structure search was firstly performed on pristine c-BN(100) surface, with surface atom coverage of 1 monolayer. The reconstructed 24 and functionalized diamond (100) surfaces [25][26][27] have been successfully predicted by the surface module of CALYPSO code. By CALYPSO calculations, the two types of atoms in c-BN offer the possibility of forming the N-rich and B-rich surfaces.…”

Section: Pristine C-bn(100) Surfacementioning

confidence: 99%

Structural and electronic properties of pristine and hydrogen-terminated c-BN(100) surfaces

Gong

Liu

Gao

et al. 2022

Phys. Chem. Chem. Phys.

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Section: Pristine C-bn(100) Surfacementioning

confidence: 99%

Structural and electronic properties of pristine and hydrogen-terminated c-BN(100) surfaces

Gong

Liu

Gao

et al. 2022

Phys. Chem. Chem. Phys.

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“…OTD has been seen to possess a PEA of up to 2.7 and 3.8 eV with large adsorption energies per atom in the case of ether and ketone terminations, respectively. ,− Experimentally, we have found the PEA value of 0.89 eV per atom for OTD . This has resulted in O being studied as a potential candidate in quantum sensing and electrochemical applications along with other elements like boron , and so on. H termination of diamond has been found to possess an NEA of −1.96 eV theoretically and −1.3 eV experimentally. ,− However, hydrogen has been seen to desorb at elevated temperatures (≥700 °C) which renders it nonusable in the devices operating at high temperatures.…”

Section: Introductionmentioning

confidence: 82%

Modification of the Surface Structure and Electronic Properties of Diamond (100) with Tin as a Surface Termination: A Density Functional Theory Study

Ullah

Fox

2021

J. Phys. Chem. C

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Many metal and metal oxide terminations have resulted in imparting negative electron affinity (NEA) to various diamond surfaces, especially diamond (100), and lowering the surface work function considerably. Tin, having many interesting properties in both metallic and oxide forms and being nontoxic and abundant, has the potential of being an efficient termination of diamond for interesting surface properties. Density functional theory is used to assess tin adsorption on the bare and oxygen-terminated diamond (100) surface. Quarter and half monolayer coverages of tin were found to be the most stable coverages in the case of both bare and oxygen-terminated diamond, resulting in large adsorption energies (up to −6.5 eV on the oxygen-terminated surface with an electron affinity up to −1.5 eV), comparable to the results obtained for H-terminated and alkali metal/metal oxide-terminated diamond surfaces. The electrostatic potential and density of states calculations suggest a stronger covalent bonding between the surface species along with the shift in the electron density toward or in the vicinity of surface carbon atoms, which leads to NEA. These results lay a foundation for any future investigation into this novel termination.

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“…with 𝛿ℎ the RMS tip oscillation (experimentally measured at 0.65 nm). A reasonable estimate of 𝐸 𝑇𝑢𝑛𝑛𝑒𝑙 (3 eV) can be obtained by subtracting the applied bias (2 V) and an average of the negative electron affinity of diamond (~0.5 eV) [55] to the diamond band gap (5.5 eV). Only the pre-exponential factor 𝐴 𝑇 remains an adjustable parameter for graphical representation.…”

Section: Identification Of Electrical Transport Regimes 421 Experimen...mentioning

confidence: 99%

Resistive-nanoindentation on gold: Experiments and modeling of the electrical contact resistance

Volpi

Rusinowicz

Comby-Dassonneville

et al. 2021

Review of Scientific Instruments

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This paper reports the experimental, analytical and numerical study of resistive-nanoindentation tests performed on gold samples (bulk and thin film). First the relevant contributions to electrical contact resistance are discussed and analytically described. A brief comparison of tests performed on gold and on natively-oxidized metals highlights the high reproducibility and the voltage-independence of experiments on gold (thanks to its oxide-free surface). Then the evolution of contact resistance during nanoindentation is fully explained in terms of electronic transport regimes: starting from tunneling, electronic transport is then driven by ballistic conduction before ending with pure diffusive conduction. The corresponding analytical expressions, as well as their validity domains, are determined and compared with experimental data, showing excellent agreement. From there, focus is made on the diffusive regime.Resistive-nanoindentation outputs are fully described by analytical and finite-element modeling. The developed numerical framework allows a better understanding of the main parameters: it first assesses the technique capabilities (validity domains, sensitivity to tip defect, sensitivity to rheology, effect of an oxide layer,…), but it also validates the different assumptions made on current line distribution. Finally it is shown that a simple calibration procedure allows a well-resolved monitoring of contact area during resistive-nanoindentation performed on samples with complex rheologies (ductile thin film on elastic substrate).Comparison to analytical and numerical approaches highlights the strength of resistivenanoindentation for continuous area monitoring.

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Boron-terminated diamond (100) surfaces with promising structural and electronic properties

Abstract: Boron coverages on diamond (100) surfaces with varying configurations show novel electron affinity property.

Cited by 24 publications

References 43 publications

Structural and electronic properties of pristine and hydrogen-terminated c-BN(100) surfaces

Structural and electronic properties of pristine and hydrogen-terminated c-BN(100) surfaces

Modification of the Surface Structure and Electronic Properties of Diamond (100) with Tin as a Surface Termination: A Density Functional Theory Study

Resistive-nanoindentation on gold: Experiments and modeling of the electrical contact resistance

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