Penta-SiCN: A highly auxetic monolayer

SB Sharma, IA Qattan, M Jaishi… - ACS Applied Electronic …, 2022 - ACS Publications
The negative Poisson's (NPR) ratio in a two-dimensional (2D) material is a counterintuitive
mechanical property that facilitates the development of nanoscale devices with sophisticated …

A DFT investigation of the electronic, optical, and thermoelectric properties of pentadiamond

RM Tromer, LC Felix, CF Woellner, DS Galvao - Chemical physics letters, 2021 - Elsevier
Recently, a new 3D carbon allotrope named pentadiamond was proposed composed by
mixed sp 2 and sp 3-like hybridization. In this work, we have carried out a detailed …

Temperature-dependent AC conductivity and dielectric and impedance properties of ternary In–Te–Se nanocomposite thin films

P Mannu, M Palanisamy, G Bangaru, S Ramakrishnan… - Applied Physics A, 2019 - Springer
The temperature-and frequency-dependent AC conductivity and dielectric and impedance
properties of thermally evaporated ternary In–Te–Se nanocomposite thin films were …

Validation of density functional theory methods for predicting the optical properties of cu-based multinary chalcogenide semiconductors

Q Wang, H Ma, B Ni, Y Li, S Huang… - The Journal of …, 2022 - ACS Publications
Copper-based chalcogenide semiconductors are particularly attractive materials for
photovoltaic and nonlinear optical applications. Unfortunately, accurate theoretical …

Electronic, optical and thermoelectric properties of boron-doped nitrogenated holey graphene

RM Tromer, A Freitas, IM Felix, B Mortazavi… - Physical Chemistry …, 2020 - pubs.rsc.org
We employ first principles calculations to investigate the electronic, optical, and
thermoelectric properties of ten boron-doped nitrogenated holey graphene (NHG) …

[HTML][HTML] Plasmonic thin film InP/graphene-based Schottky-junction solar cell using nanorods

A Nematpour, M Nikoufard - Journal of advanced research, 2018 - Elsevier
Herein, the design and simulation of graphene/InP thin film solar cells with a novel periodic
array of nanorods and plasmonic back-reflectors of the nano-semi sphere was proposed. In …

Thiophene-Tetrathia-Annulene monolayer (TTA-2D): A new 2D semiconductor material with indirect bandgap

RM Tromer, LD Machado, CF Woellner… - Physica E: Low …, 2021 - Elsevier
We propose a new 2D semiconductor material (TTA-2D) based on the molecular structure of
Thiophene-Tetrathia-Annulene (TTA). The TTA-2D structural, electronic, and optical …

Study of electronic properties of graphene device with vacancy cluster defects: A first principles approach

P Nayebi, E Zaminpayma, M Emami-Razavi - Thin Solid Films, 2018 - Elsevier
The discovery of graphene has produced new ideas for the description of several graphene
devices with the potential to improve, for examples, solar cells, advanced sensors and …

Solution-liquid-solid growth of CuInTe2 nanowires as lithium-ion battery anodes

SL Jheng, J Chen, HY Tuan - Materials & Design, 2018 - Elsevier
For the first time, CuInTe 2 nanowires in I–III–VI 2 chalcopyrite ternary system were
synthesized via the bismuth (Bi)-seeded solution-liquid-solid (SLS) growth under 350° C …

Electronic properties of the interface between metallic doped zigzag graphene and pristine graphene nanoribbons

E Zaminpayma, P Nayebi, M Emami-Razavi - Journal of Inorganic and …, 2020 - Springer
The electronic properties of the interface between metallic doped zigzag graphene
nanoribbons and perfect graphene nanoribbons are investigated. The density functional …