Journal ArticleDOI
Pressure-induced and flaring photocatalytic diversity of ZnO particles hallmarked by finely tuned pathways
Martina Vrankić,Ankica Šarić,Takeshi Nakagawa,Yang Ding,Ines Despotović,Lidija Kanižaj,Hirofumi Ishii,Nozomu Hiraoka,Goran Dražić,Dirk Lützenkirchen-Hecht,Robert Peter,Mladen Petravic +11 more
TLDR
In this article, a detailed description of the mechanism that mimics the formation of finely-tuned, spherical ZnO nanoparticles (NPs) at the computational level is presented.About:
This article is published in Journal of Alloys and Compounds.The article was published on 2022-02-15. It has received 2 citations till now. The article focuses on the topics: Photocatalysis & Hydrostatic pressure.read more
Citations
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Insight into the Growth Mechanism and Photocatalytic Behavior of Tubular Hierarchical ZnO Structures: An Integrated Experimental and Theoretical Approach.
Ankica Šarić,Martina Vrankić,Dirk Lützenkirchen-Hecht,Ines Despotović,Željka Petrović,Goran Dražić,F. Eckelt +6 more
TL;DR: In this paper , the effect of NaOH on the growth mechanism and photocatalytic performance of hierarchical ZnO structures was investigated, supported by results of quantum chemical calculations at the level of density functional theory.
Journal ArticleDOI
Hydrogen Bonds as Stability-Controlling Elements of Spherical Aggregates of ZnO Nanoparticles: A Joint Experimental and Theoretical Approach
Ankica Šarić,Ines Despotović +1 more
TL;DR: In this paper , the effects of various organic additives, such as diethanolamine (DEA) and ethanolamine (EA), and variations in aging times on the formation and stability mechanisms of spherical aggregates of ZnO nanoparticles (NPs) prepared by using solvothermal synthesis were studied.
References
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TL;DR: The SMD model may be employed with other algorithms for solving the nonhomogeneous Poisson equation for continuum solvation calculations in which the solute is represented by its electron density in real space, including, for example, the conductor-like screening algorithm.
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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.
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Optical Properties and Electronic Structure of Amorphous Germanium
Jan Tauc,R. Grigorovici,A. Vancu +2 more
TL;DR: In this article, the optical constants of amorphous Ge were determined for the photon energies from 0.08 to 1.6 eV, and the absorption is due to k-conserving transitions of holes between the valence bands as in p-type crystals.