Rapid fabrication of SnO 2 nanoparticle photocatalyst: computational understanding and photocatalytic degradation of organic dye
Y Li, Q Yang, Z Wang, G Wang, B Zhang… - Inorganic Chemistry …, 2018 - pubs.rsc.org
Metal oxides have attracted an increasing attention for the photo-degradation of organic
containments. Deep understanding of the physical parameters correlated with the …
containments. Deep understanding of the physical parameters correlated with the …
Cesium Bismuth Iodide Solar Cells from Systematic Molar Ratio Variation of CsI and BiI3
Metal halide compounds with photovoltaic properties prepared from solution have received
increased attention for utilization in solar cells. In this work, low-toxicity cesium bismuth …
increased attention for utilization in solar cells. In this work, low-toxicity cesium bismuth …
The position operator problem in periodic calculations with an emphasis on theoretical spectroscopy
In this article, we present the challenges that arise when carrying out spectroscopic
simulations within periodic boundary conditions. We present approaches which were …
simulations within periodic boundary conditions. We present approaches which were …
Learning excited states from ground states by using an artificial neural network
Excited states are different quantum states from their ground states, and spectroscopy
methods that can assess excited states are widely used in materials characterization …
methods that can assess excited states are widely used in materials characterization …
Tellurium Doping and the Structural, Electronic, and Optical Properties of NaYS2(1–x)Te2x Alloys
New ternary and quaternary NaYS2 (1–x) Te2 x alloys (with x= 0, 0.33, 0.67, and 1) are
proposed as promising candidates for photon energy conversion in photovoltaic …
proposed as promising candidates for photon energy conversion in photovoltaic …
Synthesis, physical and electrochemical properties of Bi-VO mixed metal oxide nanocomposites for catalytic fabrication of 2-amino-4H-benzochromenes under heat …
B Khaledi-koureh, L Kafi-Ahmadi, S Khademinia… - Journal of Molecular …, 2023 - Elsevier
The present study reports the mild condition hydrothermal synthesis of a new class of Bi-VO
four component nanocomposites (Bi 2 V 2 O 7-BiVO 3-BiVO 4-V 2 O 5). The X-ray powder …
four component nanocomposites (Bi 2 V 2 O 7-BiVO 3-BiVO 4-V 2 O 5). The X-ray powder …
Prediction of the formability and stability of perovskite oxides via multi-label classification
X Wang, J Zhao - New Journal of Chemistry, 2024 - pubs.rsc.org
Perovskite oxides are promising candidates for diverse applications due to their versatile
physical and chemical properties. However, their structural and compositional flexibility …
physical and chemical properties. However, their structural and compositional flexibility …
Natural sulvanite Cu3MX4 (M= Nb, Ta; X= S, Se): Promising visible-light photocatalysts for water splitting
Y Li, M Wu, T Zhang, X Qi, G Ming, G Wang… - Computational Materials …, 2019 - Elsevier
The identification of natural mineral photocatalysts with excellent visible-light absorption,
suitable band edge positions, and large carrier mobility is significant for water-splitting …
suitable band edge positions, and large carrier mobility is significant for water-splitting …
Tetrahedral rotations in the alkaline-earth metal orthovanadates
The alkaline-earth metal orthovanadate Sr 3 (VO 4) 2 with the palmierite structure is reported
to host a dielectric anomaly as well as a structural phase transition above the room …
to host a dielectric anomaly as well as a structural phase transition above the room …
High-pressure synthesis of the perovskite
We report the high-pressure, high-temperature synthesis of BiV O 3, a cubic perovskite that
thus far has remained inaccessible under ambient pressure conditions. We created this …
thus far has remained inaccessible under ambient pressure conditions. We created this …