Induced dipole moments in amorphous ZnCdS catalysts facilitate photocatalytic H2 evolution

X Wang, B Liu, S Ma, Y Zhang, L Wang, G Zhu… - Nature …, 2024 - nature.com
Amorphous semiconductors without perfect crystalline lattice structures are usually
considered to be unfavorable for photocatalysis due to the presence of enriched trap states …

Machine learning models for the discovery of direct band gap materials for light emission and photovoltaics

F Dinic, I Neporozhnii, O Voznyy - Computational Materials Science, 2024 - Elsevier
Screening large materials spaces to find suitable candidates for optoelectronic applications
requires a fast estimation of the material's band gap and whether it is direct or indirect band …

Facile synthesis of barium-doped cadmium sulfide quantum dots for the treatment of polluted water: experimental and computational investigations

A Ur Rehman, M Ikram, A Haider, MA Raza… - ACS …, 2022 - ACS Publications
In this study, cadmium sulfide (CdS) quantum dots (QDs) and barium (Ba)(3 and 6 wt%)-
doped CdS QDs were synthesized via a hydrothermal technique. The basic purpose of this …

Studies on microstructural dependence of nonlinear optical properties in PSAN/CdS polymer nanocomposites

MP Boranna, KS Chandrakantha… - Journal of Materials …, 2023 - Springer
Abstract The Cadmium Sulphide (CdS) nanoparticles were synthesized by microwave
hydrothermal method. Poly (styrene-co-acrylonitrile)(PSAN)/CdS polymer nanocomposites …

Plant-Based Phytochemicals for Synthesis of Z-Scheme In2O3/CdS Heterostructures: DFT Analysis and Photocatalytic CO2 Reduction to HCOOH and CO

PM Gawal, AK Golder - Langmuir, 2024 - ACS Publications
Photocatalytic CO2 reduction shows potential for mitigating industrial emissions. Z-scheme
In2O3/CdS (bio) heterostructures (25 nm, 217.0 m2 g–1 surface area) with a more negative …

CuInSe2 nanoplatelets decorated CdS nanosheets as 2D-2D S-scheme photocatalyst for photocatalytic H2 generation coupled with benzyl alcohol oxidation and …

Y Liu, Q Zeng, S Ning, Y Gan, T Fujita, Y Wei… - Journal of Solid State …, 2024 - Elsevier
In this work, a novel 2D layered heterojunction for various photocatalytic reactions is
constructed by hybridizing CdS nanosheets and CuInSe 2 nanoplatelets. By adjusting …

Tuning the optical constants and thermal properties of CdS nanocrystals by SHI irradiation: A blended analysis through DFT+ U and TS model

D Nath, F Singh, RKL Singh, R Das - Materials Science in Semiconductor …, 2022 - Elsevier
Here, chemically synthesized CdS nanocrystals have been irradiated with swift heavy ions
(SHI) with an aim to study the changes in its optical constants such as refractive index and …

Application and Development of Machine Learning for the Discovery of Novel Functional Materials: From Lithium Ion Battery Cathodes to Direct Band Gap …

F Dinic - 2023 - search.proquest.com
Nearly every industry is seeking improvement in material performance such as strength,
durability, efficiency, or cost. However, traditionally, material discovery has been a slow …

Investigation of the electronic and optical properties of bilayer CdS as a gas sensor: first-principles calculations

WK Alaarage, AHA Nasria, TA Hussein, HI Abbood - RSC advances, 2024 - pubs.rsc.org
We utilised first-principles computations based on density functional theory to investigate the
optical and electronic properties of bilayer CdS before and after the adsorption of gas …