Pentagon-based 2D materials: Classification, properties and applications
Y Shen, Q Wang - Physics Reports, 2022 - Elsevier
Abstract Since penta-graphene (PG), a two-dimensional (2D) carbon allotrope exclusively
composed of five-membered rings, was proposed in 2015, a great deal of effort has been …
composed of five-membered rings, was proposed in 2015, a great deal of effort has been …
[HTML][HTML] Thermoelectric generators act as renewable energy sources
The thermoelectric generator (TEG) is a solid-state energy converting device that converts
heat directly into electrical energy. TEGs are silent, scalable, and reliable, as they have no …
heat directly into electrical energy. TEGs are silent, scalable, and reliable, as they have no …
Hydrogenation-induced interfacial bonding effects on the structural, electronic, and optical properties of GaN bilayer
H Shu - Vacuum, 2023 - Elsevier
Employing first-principles calculations, effects of hydrogenation on the structural, electronic,
and optical properties of AB-stacked GaN bilayer are explored systematically …
and optical properties of AB-stacked GaN bilayer are explored systematically …
Detection of H2S, HF and H2 pollutant gases on the surface of penta-PdAs2 monolayer using DFT approach
In this research, the adsorption of targeted noxious gases like H2S, HF and H2 on penta-
PdAs2 monolayer are deeply studied by means of the density functional theory (DFT). After …
PdAs2 monolayer are deeply studied by means of the density functional theory (DFT). After …
Strain modulating electronic band gaps and SQ efficiencies of semiconductor 2D PdQ2 (Q = S, Se) monolayer
We studied the physical, electronic transport and optical properties of a unique pentagonal
PdQ2 (Q= S, Se) monolayers. The dynamic stability of 2Dwrinkle like-PdQ2 is proven by …
PdQ2 (Q= S, Se) monolayers. The dynamic stability of 2Dwrinkle like-PdQ2 is proven by …
Surface functionalization of penta-siligraphene monolayer for nanoelectronic, optoelectronic and photocatalytic water-splitting: a first-principles study
M Maymoun, S Oukahou, A Elomrani, M Lamhani… - Applied Surface …, 2022 - Elsevier
Herein, we have investigated theoretically using density functional theory the effect of
surface functionalization with hydrogen, fluorine and chlorine atoms on electronic and optic …
surface functionalization with hydrogen, fluorine and chlorine atoms on electronic and optic …
First-Principles Calculations of Two-Dimensional Monolayer PdSe2 for Selective Sensing of Nitrogen-Containing Gases
Y Ma, X Gong, F Xiao, Y Liu, X Ming - ACS Applied Nano …, 2022 - ACS Publications
Monolayer palladium diselenide (PdSe2) has attracted increasing attention due to its
outstanding physicochemical properties and puckered pentagonal layered structure. In this …
outstanding physicochemical properties and puckered pentagonal layered structure. In this …
The electronic, mechanical properties and in-plane negative Poisson's ratio in novel pentagonal NiX2 (X= S, Se, Te) monolayers with strong anisotropy: a first …
Inspired by the groundbreaking discoveries of the transition metal dichalcogenides (TMDCs)
materials, the structural stabilities, electronic and mechanical properties of the pentagonal …
materials, the structural stabilities, electronic and mechanical properties of the pentagonal …
Highly-anisotropic carrier transport and optical properties of two-dimensional titanium trisulfide
H Shu - Journal of Materials Science, 2022 - Springer
In-plane anisotropy of two-dimensional materials remains one of the most attracting
properties. By employing first-principles calculations, we systematically explore the …
properties. By employing first-principles calculations, we systematically explore the …
Janus penta-PdSeTe: A two-dimensional candidate with high thermoelectric performance
Inspired by the successful preparation of Janus transition metal dichalcogenides MoSSe
with hexagonal structure, we investigated the electronic and thermoelectric properties of a …
with hexagonal structure, we investigated the electronic and thermoelectric properties of a …