Next Article in Journal / Special Issue
Progress on Diamane and Diamanoid Thin Film Pressureless Synthesis
Previous Article in Journal
Asymmetric Supercapacitors: Optical and Thermal Effects When Active Carbon Electrodes Are Embedded with Nano-Scale Semiconductor Dots
Open AccessArticle

Modifying Electronic and Elastic Properties of 2-Dimensional [110] Diamond by Nitrogen Substitution

1
Extreme Condition Physics Research Laboratory, Physics of Energy Materials Research Unit, Department of Physics, Faculty of Science, Chulalongkorn University, Bangkok 10330, Thailand
2
Thailand Center of Excellence in Physics, Commission on Higher Education, 328 Si Ayutthaya Road, Bangkok 10400, Thailand
*
Author to whom correspondence should be addressed.
Received: 15 December 2020 / Revised: 12 January 2021 / Accepted: 16 January 2021 / Published: 21 January 2021
(This article belongs to the Special Issue 2D Ultrathin Carbon Films)
One type of two-dimensional diamonds that are derived from [111] direction, so-called diamane, has been previously shown to be stabilized by N-substitution, where the passivation of dangling bonds is no longer needed. In the present work, we theoretically demonstrated that another type of two-dimensional diamonds derived from [110] direction exhibiting a washboard conformation can also be stabilized by N-substitution. Three structural models of washboard-like carbon nitrides with compositions of C6N2, C5N3, and C4N4 are studied together with the fully hydrogenated washboard-like diamane (C8H4). The result shows that the band gap of this type structure is only open the dangling bonds that are entirely diminished through N-substitution. By increasing the N content, the C11 and C22 are softer and the C33 is stiffer where their bulk modulus are in the same order, which is approximately 550 GPa. When comparing with the hydrogenated phase, the N-substituted phases have higher elastic constants and bulk modulus, suggesting that they are possibly harder than the fully hydrogenated diamane. View Full-Text
Keywords: diamane; carbon nitrides; 2D materials; Ab initio; superhard materials; semiconductor diamane; carbon nitrides; 2D materials; Ab initio; superhard materials; semiconductor
Show Figures

Figure 1

MDPI and ACS Style

Pakornchote, T.; Ektarawong, A.; Pinsook, U.; Bovornratanaraks, T. Modifying Electronic and Elastic Properties of 2-Dimensional [110] Diamond by Nitrogen Substitution. C 2021, 7, 8. https://0-doi-org.brum.beds.ac.uk/10.3390/c7010008

AMA Style

Pakornchote T, Ektarawong A, Pinsook U, Bovornratanaraks T. Modifying Electronic and Elastic Properties of 2-Dimensional [110] Diamond by Nitrogen Substitution. C. 2021; 7(1):8. https://0-doi-org.brum.beds.ac.uk/10.3390/c7010008

Chicago/Turabian Style

Pakornchote, Teerachote; Ektarawong, Annop; Pinsook, Udomsilp; Bovornratanaraks, Thiti. 2021. "Modifying Electronic and Elastic Properties of 2-Dimensional [110] Diamond by Nitrogen Substitution" C 7, no. 1: 8. https://0-doi-org.brum.beds.ac.uk/10.3390/c7010008

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
Search more from Scilit
 
Search
Back to TopTop