Electronic Structures of Polymorphic Layers of Borophane

I Tateishi, X Zhang, I Matsuda - Molecules, 2022 - mdpi.com
The search for free-standing 2D materials has been one of the most important subjects in the
field of studies on 2D materials and their applications. Recently, a free-standing monolayer …

Advancements in Freestanding Hydrogen Boride Sheets: Unraveling the Novel Properties of Borophane Polymorphs

T Kondo - Chemistry Letters, 2023 - academic.oup.com
Hydrogen boride (HB) sheets are two-dimensional materials and polymorphs of
hydrogenated borophene (borophane) composed of boron and hydrogen in a 1: 1 …

Structural, mechanical, electronic and optical properties of N-decorated single-walled silicon carbide nanotube photocatalyst for hydrogen evolution via water splitting …

YS Itas, R Razali, S Tata, M Kolo, H Osman… - … and Technology of …, 2023 - Taylor & Francis
This work investigates the fundamental photocatalytic properties of nitrogen-doped single-
walled silicon carbide nanotubes (N-doped SWSiCNTs) for hydrogen evolution for the first …

Carbon dioxide adsorption and conversion to methane and ethane on hydrogen boride sheets

T Goto, S Ito, SL Shinde, R Ishibiki, Y Hikita… - Communications …, 2022 - nature.com
Hydrogen boride (HB) sheets are metal-free two-dimensional materials comprising boron
and hydrogen in a 1: 1 stoichiometric ratio. In spite of the several advancements, the …

Adsorption of hydrogen molecule on alkali metal-decorated hydrogen boride nanotubes: A DFT study

N Ploysongsri, V Vchirawongkwin… - International Journal of …, 2021 - Elsevier
Abstract Adsorption of Li, Na, and K atom on surfaces of armchair (5, 5) and zigzag (10, 0)
hydrogen boride nanotubes (HBNTs) was investigated using the periodic-DFT method. It …

nTiO2 cluster (n= 3) modified GaNNT: A potential candidate for online monitoring for oil-immersed transformers

TY Sang, T Li, S Wang, H Xu, X Hu, Y Yang… - Applied Surface …, 2023 - Elsevier
The detection of the insulation state of electrical equipment, particularly oil-immersed
transformers, requires continuous monitoring of dissolved gases in oil. Using Perdew-Burke …

Selective sensing of 2, 4, 6-trinitrotoluene and triacetone triperoxide using carbon/boron nitride heteronanotubes

LA Algharagholy, H Sadeghi, AA Al-Backri - Materials Today …, 2021 - Elsevier
The detection of reactive compounds represents a significant challenge. Here we
demonstrate that heteronanotubes formed by covalently bonded carbon (CNT) and boron …

In situ sulfur-doped mesoporous tungsten oxides for gas sensing toward benzene series

Y Deng, Y Liu, Y Deng, J Cheng, Y Zou, W Luo - Chinese Chemical Letters, 2024 - Elsevier
Benzene series as highly toxic gases have inevitably entered human life and produce great
threat to human health and ecological environment, and thus it is distinctly meaningful to …

[HTML][HTML] Effects of Crystallinity and Branched Chain on Thermal Degradation of Polyethylene: A SCC-DFTB Molecular Dynamics Study

S Zeng, D Lu, R Yang - Polymers, 2024 - mdpi.com
As a widely used plastic, the aging and degradation of polyethylene (PE) are inevitable
problems, whether the goal is to prolong the life of PE products or address the issue of white …

Highly dispersed Ni nanoclusters spontaneously formed on hydrogen boride sheets

N Noguchi, S Ito, M Hikichi, Y Cho, K Goto, A Kubo… - Molecules, 2022 - mdpi.com
Hydrogen boride (HB) sheets are two-dimensional materials comprising a negatively
charged hexagonal boron network and positively charged hydrogen atoms with a …