The electronic properties of borophane nanosheet and adsorption behavior of three distinct alcohol vapors namely methanol, ethanol and 1-propanol on borophane nanosheet is studied using density functional theory method for the first time. The state-of-the-art provides insights on to the development of new two dimensional materials with the surface passivation on boron nanostructures. The density of states spectrum provides a clear perception on charge transfer upon adsorption of alcohol vapors on borophane nanosheets. The monolayer of borophane band gap widens upon adsorption of alcohol vapors, which can be used for the detection for volatile organic vapors. The adsorption properties of alcohol vapors on borophane base material are analyzed in terms of natural bond orbital, average energy gap variation, adsorption energy and energy gap. The most suitable adsorption sites of methanol, ethanol and 1-propanol molecules on borophane nanosheet are investigated in atomistic level. The adsorption of alcohol molecules on borophane nanosheet is found to be more favorable. The findings suggest that the monolayer borophane nanosheet can be utilized to detect the presence of alcohol vapors in the atmosphere.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1016/j.jmgm.2017.02.003 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Interlayer Hydrogen Recombination from Hydrogen Boride Nanosheets Elucidated by Isotope Labeling.
J Phys Chem Lett
November 2024
Department of Materials Science, Institute of Pure and Applied Sciences, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8573, Japan.
In this study, deuterium boride (DB) nanosheets were synthesized as deuterated borophane through the ion exchange of magnesium cations in magnesium diboride with deuterons from a deuterium-type ion-exchange resin in acetonitrile. The Fourier-transform infrared absorption spectrum of DB exhibited clear isotope effects, namely the shift in the absorption peak of the B-H stretching vibrational mode to a lower wavenumber. Temperature-programmed desorption (TPD) from a mixture of DB and hydrogen boride (HB) nanosheets yielded a more intense hydrogen-deuterium (HD) signal compared to the H and D signals.
View Article and Find Full Text PDFAdvances In Borophene: Synthesis, Tunable Properties, and Energy Storage Applications.
Small
October 2024
Department of Electrical Engineering, Faculty of Engineering and the Built Environment, Tshwane University of Technology, Pretoria, 0183, South Africa.
Monolayer boron nanosheet, commonly known as borophene, has garnered significant attention in recent years due to its unique structural, electronic, mechanical, and thermal properties. This review paper provides a comprehensive overview of the advancements in the synthetic strategies, tunable properties, and prospective applications of borophene, specifically focusing on its potential in energy storage devices. The review begins by discussing the various synthesis techniques for borophene, including molecular beam epitaxy (MBE), chemical vapor deposition (CVD), and chemical methods, such as ultrasonic exfoliation and thermal decomposition of boron-containing precursors.
View Article and Find Full Text PDFSensing properties of monolayer borophane nanosheet towards alcohol vapors: A first-principles study.
J Mol Graph Model
May 2017
School of Electrical & Electronics Engineering, SASTRA University, Tirumalaisamudram, Thanjavur, 613 401, India. Electronic address:
The electronic properties of borophane nanosheet and adsorption behavior of three distinct alcohol vapors namely methanol, ethanol and 1-propanol on borophane nanosheet is studied using density functional theory method for the first time. The state-of-the-art provides insights on to the development of new two dimensional materials with the surface passivation on boron nanostructures. The density of states spectrum provides a clear perception on charge transfer upon adsorption of alcohol vapors on borophane nanosheets.
View Article and Find Full Text PDFHydrogenated borophene as a stable two-dimensional Dirac material with an ultrahigh Fermi velocity.
Phys Chem Chem Phys
October 2016
School of Chemistry, Physics, and Mechanical Engineering Faculty, Queensland University of Technology, Garden Point Campus, QLD 4001, Brisbane, Australia.
The recent synthesis of monolayer borophene (triangular boron monolayer) on a substrate has opened the era of boron nanosheets (Science, 2015, 350, 1513), but the structural instability and a need to explore the novel physical properties are still open issues. Here we demonstrated that borophene can be stabilized by full surface hydrogenation (borophane), from first-principles calculations. Most interestingly, our calculations show that borophane has direction-dependent Dirac cones, which are mainly caused by the in-plane p and p orbitals of boron atoms.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!