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Transition metal doped ZnO nanoparticles with enhanced photocatalytic and antibacterial performances: Experimental and DFT studies

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TLDR
In this paper, transition metal doped ZnO (TM-ZnO) nanoparticles with 3% dopant content were successfully prepared via a simple solvothermal route.
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This article is published in Ceramics International.The article was published on 2020-02-01. It has received 243 citations till now. The article focuses on the topics: Wurtzite crystal structure & Dopant.

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CuO and ZnO co-anchored on g-C3N4 nanosheets as an affordable double Z-scheme nanocomposite for photocatalytic decontamination of amoxicillin

TL;DR: In this article, both CuO nanoparticles and ZnO nanorods were anchored on thermally-exfoliated g-C3N4 nanosheets via isoelectric point-mediated annealing process as a novel nano-photocatalyst towards degradation of amoxicillin (AMOX).
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A Mini Review of Antibacterial Properties of ZnO Nanoparticles

TL;DR: In this article, the authors proposed a new generation of antimicrobial agents based on nanoparticles of metal oxides (ZnO) and showed that ZnO nanoparticles have bacteriostatic and bactericidal action against gram-positive and gram-negative bacteria, as well as fungicidal activity.
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Engineered graphitic carbon nitride-based photocatalysts for visible-light-driven water splitting: A review

TL;DR: In this article, a review of the latest progress of g-C₃N₄-based materials in visible-light-driven water splitting to hydrogen is presented.
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Photocatalytic dye degradation and antimicrobial activities of Pure and Ag-doped ZnO using Cannabis sativa leaf extract.

TL;DR: Green synthesized nanoparticles could have beneficial applications in environmental science and biological field and have shown antimicrobial activity against different human pathogenic bacteria and fungal strains.
References
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Journal ArticleDOI

Generalized Gradient Approximation Made Simple

TL;DR: A simple derivation of a simple GGA is presented, in which all parameters (other than those in LSD) are fundamental constants, and only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked.
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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set.

TL;DR: An efficient scheme for calculating the Kohn-Sham ground state of metallic systems using pseudopotentials and a plane-wave basis set is presented and the application of Pulay's DIIS method to the iterative diagonalization of large matrices will be discussed.
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Electrochemical Photolysis of Water at a Semiconductor Electrode

TL;DR: Water photolysis is investigated by exploiting the fact that water is transparent to visible light and cannot be decomposed directly, but only by radiation with wavelengths shorter than 190 nm.
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Hybrid functionals based on a screened Coulomb potential

TL;DR: In this paper, a new hybrid density functional based on a screened Coulomb potential for the exchange interaction is proposed, which enables fast and accurate hybrid calculations, even of usually difficult metallic systems.
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Assessment of the Perdew–Burke–Ernzerhof exchange-correlation functional

TL;DR: In this paper, the Perdew-Burke-Ernzerhof (PBE) functional was compared with empirical functionals for the atomization energies of the G2 set, and the PBE functional showed systematic errors larger than those of commonly used empirical functions.
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