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Theoretical Investigation of Metallic Nanolayers For Charge-Storage Applications
SV Natl Inst Technol, Dept Appl Phys, Adv Mat Lab, Surat 395007, India.
St Xaviers Coll, Dept Phys, Computat Mat & Nanosci Grp, Ahmadabad 380009, Gujarat, India.ORCID iD: 0000-0002-3060-2104
SV Natl Inst Technol, Dept Appl Phys, Adv Mat Lab, Surat 395007, India.
Univ Queensland, Australian Inst Bioengn & Nanotechnol, Ctr Theoret & Computat Mol Sci, Brisbane, Qld 4072, Australia.
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2018 (English)In: ACS APPLIED ENERGY MATERIALS, ISSN 2574-0962, Vol. 1, no 7, p. 3428-3433Article in journal (Refereed) Published
Abstract [en]

We report the first time that metallic homostructure of aluminene (Al) and antimonene (Sb) materials are the promising materials for the electric charge storage as a nanocapacitors. In this work, we have proposed two various phases of capacitor, namely, hexagonal (H) and trigonal (T) phases. Here, we have investigated the electronic properties, visualization of molecular orbitals, van der Waals (vdW) energy between layers, and supercapacitance properties, such as dipole moment (P), charge stored (Q(s)), energy stored (E-s), and capacitance (C). It is found that the Sb bilayer has higher capacitance values than Al bilayer. Instead of that, we have also focused on the various pristine homobilayer of boron (B), carbon (C), silicon (Si), phosphorus (P), gallium (Ga), germanium (Ge), arsenic (As), and indium (In) and heterobilayers of pristine C and Al, pristine C and Sb, pristine C and Si, pristine C and Sn, pristine C and As, and pristine P and Si for H and T phases, respectively, and results are compared with Al and Sb. Our investigated energy storage, charge, and capacitance values are in better agreement with the previously reported works. The capacitance value increased accordingly to the external electric field and behave as an ideal nanocapacitor. The results suggest that Al- and Sb-homobilayer could be flexible method for building nanoscale capacitors and nanocircuits.

Place, publisher, year, edition, pages
American Chemical Society (ACS), 2018. Vol. 1, no 7, p. 3428-3433
Keywords [en]
homobilayer, heterobilayer, H-phase, T-phase, p-block elements, capacitance, density functional theory
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:uu:diva-377986DOI: 10.1021/acsaem.8b00578ISI: 000458706000048OAI: oai:DiVA.org:uu-377986DiVA, id: diva2:1293397
Available from: 2019-03-04 Created: 2019-03-04 Last updated: 2019-03-04Bibliographically approved

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Ahuja, Rajeev

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