Semiconductor based photocatalytic degradation of pesticides: An overview
Pesticides are a mixture of substances and widely used for destroying, combating, or
controlling pests Various technologies used to control pesticide concentration in nature …
controlling pests Various technologies used to control pesticide concentration in nature …
Structure, electronic and optical properties of chalcopyrite semiconductor AgTiX2 (X= S, Se, Te): A density functional theory study
The structure, electronic and optical properties of chalcopyrite-type semiconductor material
AgTiX 2 (X= S, Se, Te) are investigated invoking Density Functional Theory (DFT). The …
AgTiX 2 (X= S, Se, Te) are investigated invoking Density Functional Theory (DFT). The …
Structure, electronic and optical properties of chalcopyrite-type semiconducting materials XGaY2 (X= Cu, Ag, Au; Y= S, Se, Te) for solar cell applications: a DFT study
Due to a large scale demand of optoelectronics and photovoltaics devices, the study of
chalcopyrite-type semiconducting materials has emerged as one of the significant domains …
chalcopyrite-type semiconducting materials has emerged as one of the significant domains …
DFT investigation of structural and optoelectronic properties of glassy chalcogenide CuXY2 (X= Sb, Bi; Y= S, Se, Te) molecules
P Ranjan, K Balasubramanian… - Journal of Physics D …, 2023 - iopscience.iop.org
The structural, electronic, spectral and optical properties of the ternary semiconducting
material CuXY 2 (X= Sb, Bi; Y= S, Se, Te) are computed using the density functional theory …
material CuXY 2 (X= Sb, Bi; Y= S, Se, Te) are computed using the density functional theory …
Understanding the effect of the carbon on the photovoltaic properties of the Cu2ZnSnS4
In this work, crystalline structure, formation energy, electronic, optical and current-voltage
properties of Cu 2 ZnSnS 4 (CZTS) with the presence of carbon (C) impurity at various sites …
properties of Cu 2 ZnSnS 4 (CZTS) with the presence of carbon (C) impurity at various sites …
Structure and optical properties of (CuAg)n (n = 1–6) nanoalloy clusters within density functional theory framework
We have studied the structure and optical properties of bimetallic (CuAg) n (n= 1–6)
nanoalloy clusters by using density functional theory (DFT) method. The computed data …
nanoalloy clusters by using density functional theory (DFT) method. The computed data …
Structure, electronic and optical properties of chalcopyrite-type nano-clusters XFeY2 (X=Cu, Ag, Au; Y=S, Se, Te): a density functional theory study
Iron-based chalcopyrite materials have diverse applications in solar cells, spintronic,
thermoelectric devices, LEDs and medical sciences. In this report we have studied structure …
thermoelectric devices, LEDs and medical sciences. In this report we have studied structure …
Fabrication of CZTS Films through a Combined Electrodeposition and Solution Process: An Experimental and First‐Principles Study
Sulfurization has a critical role in preparation of CZTS films since the main drawback of
CZTS is due to the presence of S‐based impurities. In general, sulfurization could be …
CZTS is due to the presence of S‐based impurities. In general, sulfurization could be …
Stability, electronic and catalytic properties of ConMoP(n = 1 ~ 5) clusters: A DFT study
T Wu, Z Fang, Z Wang, L Liu, J Song, J Song - Journal of Molecular …, 2023 - Springer
Context The investigation of the stability, electronic properties, and catalytic activity of
clusters ConMoP holds significant applications and implications in catalyst design, materials …
clusters ConMoP holds significant applications and implications in catalyst design, materials …
A systematic computational study of acridine derivatives through conceptual density functional theory
A detailed computational analysis of acridine derivatives viz. acridone, 9-amino acridine
hydrochloride hydrate, proflavin, acridine orange and acridine yellow is done in terms of …
hydrochloride hydrate, proflavin, acridine orange and acridine yellow is done in terms of …