Journal ArticleDOI
Nanostructure Shape-Effects in ZnO heterogeneous photocatalysis
Helapiyumi Weerathunga,Cheng Tang,Aidan J. Brock,Sarina Sarina,Tony Wang,Qiong Liu,Huaiyong Zhu,Aijun Du,Eric R. Waclawik +8 more
TLDR
In this article, the photocatalytic oxidation of benzyl alcohol by zinc oxide (ZnO) nanocrystals was investigated to clarify the mechanism of selective oxidation with this process.About:
This article is published in Journal of Colloid and Interface Science.The article was published on 2022-01-15. It has received 24 citations till now. The article focuses on the topics: Nanorod & Benzyl alcohol.read more
Citations
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Nanostructured photocatalysts for the abatement of contaminants by photocatalysis and photocatalytic ozonation: An overview.
TL;DR: In this paper , the authors present and discuss the key parameters and their effects on the anodization of different semiconductors, as well as the results obtained until today on the degradation of different contaminants by photocatalysis and photocatalytic ozonation.
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Hydrazone-linked 2D porphyrinic covalent organic framework photocatalysis for visible light-driven aerobic oxidation of amines to imines
TL;DR: In this article , a hydrazone-linked 2D (two-dimensional) porphyrinic COF, Por-DETH-COF, was assembled from 5,10,15,20-tetrakis(4-benzaldehyde)porphyrin (p-Por-CHO) and 2,5-diethoxyterephthalohydrazide (DETH) and its photocatalytic activity was duly appraised with the aerobic oxidation of amines.
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Heterometal modified Fe3O4 hollow nanospheres as efficient catalysts for organic transformations
TL;DR: In this paper , active heterometal (M = Pd, Cu) modified Fe3O4 hollow nanospheres via a two-step solvothermal/annealing method were reported.
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In situ embedment of CoOx on g-C3N4 as Z scheme heterojunction for efficient photocatalytic degradation of methyl orange and phenol under visible light
TL;DR: In this paper , a facile one-step pyrolysis method was reported to construct a Z-scheme CoOx/g-C3N4 heterostructures, which exhibit obviously enhanced visible light driven photocatalytic degradation of methyl orange and other organic pollutants.
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Highly Crystalline Lead-Free Cs3Sb2Br9 Perovskite Microcrystals Enable Efficient and Selective Photocatalytic Oxidation of Benzyl Alcohol
Daofu Wu,Weiguo Sang,Bengang Huo,Jimei Wang,Xiaoyan Wang,Cheng Chen,Qiang Huang,Xiao-Hui Tang +7 more
TL;DR: In this paper , an eco-friendly perovskite-based photocatalyst was proposed for the selective oxidation of alcohols to corresponding aldehydes, which typically requires environmentally unfriendly oxidants/catalysts or relatively harsh conditions (high temperature & pressure).
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.
Journal ArticleDOI
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set.
Georg Kresse,Jürgen Furthmüller +1 more
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.
Journal ArticleDOI
From ultrasoft pseudopotentials to the projector augmented-wave method
Georg Kresse,Daniel P. Joubert +1 more
TL;DR: In this paper, the formal relationship between US Vanderbilt-type pseudopotentials and Blochl's projector augmented wave (PAW) method is derived and the Hamilton operator, the forces, and the stress tensor are derived for this modified PAW functional.
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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
Georg Kresse,Jürgen Furthmüller +1 more
TL;DR: A detailed description and comparison of algorithms for performing ab-initio quantum-mechanical calculations using pseudopotentials and a plane-wave basis set is presented in this article. But this is not a comparison of our algorithm with the one presented in this paper.
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A comprehensive review of zno materials and devices
Ümit Özgür,Ya. I. Alivov,C. Liu,A. Teke,Michael A. Reshchikov,Seydi Doğan,Vitaliy Avrutin,Sang-Jun Cho,Hadis Morkoç +8 more
TL;DR: The semiconductor ZnO has gained substantial interest in the research community in part because of its large exciton binding energy (60meV) which could lead to lasing action based on exciton recombination even above room temperature.