First-principles study of electronic and optical properties of defective sawtooth penta-graphene nanoribbons
We present first-principles calculations of the structural, electronic, transport, and optical
properties of defective sawtooth penta-graphene nanoribbons (D-SSPGNRs), promising …
properties of defective sawtooth penta-graphene nanoribbons (D-SSPGNRs), promising …
Structural, magneto-electronic, and electric transport properties of pentagonal PdSe2 nanoribbons: A first-principles study
We study structural, magneto-electronic, and electric transport properties of novel
pentagonal palladium diselenide (p-PdSe 2) nanoribbons (p-PdSe 2 NRs). Within the …
pentagonal palladium diselenide (p-PdSe 2) nanoribbons (p-PdSe 2 NRs). Within the …
Adsorption effects of acetone and acetonitrile on defected penta-PdSe 2 nanoribbons: a DFT study
Using DFT calculations, the structural and electronic properties of the ZZ7 p-PdSe2
nanoribbons (ZZ7) with the four kinds of vacancy defects, including ZZ7-VPd, ZZ7-VSe, ZZ7 …
nanoribbons (ZZ7) with the four kinds of vacancy defects, including ZZ7-VPd, ZZ7-VSe, ZZ7 …
A comparison study of the structural, electronic and electronic transport properties of nanoribbons based on Penta-graphene, Penta-P2C and Penta-SiC2
A comparison study of the structural, electronic and electronic transport properties of the
three proposed sawtooth edge nanoribbon materials based on Penta-graphene, pP 2 C and …
three proposed sawtooth edge nanoribbon materials based on Penta-graphene, pP 2 C and …
Electronic, magnetic, and electronic spin transport properties of the rich spin penta-PdSe2 nanoribbons: A computational study
NH Dang, PTB Thao, HT Hoang, NCD Vinh… - Journal of Magnetism …, 2024 - Elsevier
Using the spin-polarized DFT calculations combined with the non-equilibrium Green
functional (NEGF) method, the geometric, electronic, magnetic, and electronic spin transport …
functional (NEGF) method, the geometric, electronic, magnetic, and electronic spin transport …
Electronic properties of Penta-P2X (X= C and Si) nanoribbons: Density functional theory
E Barzekar, P Hosseinpour, MH Hekmatshoar… - Physica B: Condensed …, 2024 - Elsevier
In this work, using the density functional theory, the electronic properties of pentagonal P 2 C
and P 2 Si nanoribbons have been investigated. These properties include the optimal …
and P 2 Si nanoribbons have been investigated. These properties include the optimal …
Effect of phosphorus do** positions on electronic transport properties in the sawtooth penta-graphene nanoribbon: first-principles insights
The electronic structure and transport properties of sawtooth penta-graphene nanoribbon
(SSPGNR) are systematically studied via do** phosphorus and varying the dopant …
(SSPGNR) are systematically studied via do** phosphorus and varying the dopant …
[HTML][HTML] Insights on modulating electronic and transport properties of the sawtooth–sawtooth penta-SiC2 nanoribbons under uniaxial small strain by first-principles …
Based on the density functional theory in combination with the nonequilibrium Green's
function formalism, we study the structural, electronic, and transport properties of SS-pSiC 2 …
function formalism, we study the structural, electronic, and transport properties of SS-pSiC 2 …
Three-dimensional weak localization and negative magnetoresistance in high-quality PtP2 crystals
Q Cheng, G **an, Y Huang, H Guo, L Pan, H Zhou… - Science China …, 2023 - Springer
Pentagonal-ring-structured PtP2 bulk crystals and the two-dimensional (2D) PtP2 with rich
theoretical physical and chemical properties have attracted considerable attention for the …
theoretical physical and chemical properties have attracted considerable attention for the …
Feature-rich structural and electronic properties of halogen-functionalized germanene nanoribbons: A DFT study
Structural and electronic properties of halogen (F, Cl, Br, I, and At)-functionalized armchair
germanene nanoribbons (AGeNR) are investigated using the density functional theory (DFT) …
germanene nanoribbons (AGeNR) are investigated using the density functional theory (DFT) …