Effects of crystal and electronic structures of ANb2O6 (A=Ca, Sr, Ba) metaniobate compounds on their photocatalytic H2 evolution from pure water
TL;DR: In this paper, the authors used X-ray diffraction, field-emission electron microscopy (FE-SEM), and UV-vis diffuse reflectance spectroscopy, and fluorescence spectra to investigate the electronic band structures and photocatalytic activities of alkali-earth metaniobate compounds.
About: This article is published in International Journal of Hydrogen Energy.The article was published on 2010-12-01. It has received 69 citations till now.
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TL;DR: In this paper, a short review on different types of niobates, namely columbite and rare earth, and the relation of the properties of these materials with niobium oxides is presented.
338 citations
TL;DR: In this article, Eu 3+ doped barium niobate (Eu 3 + :BaNb 2 O 6 ) phosphors were successfully synthesized by conventional solid state reaction method.
80 citations
TL;DR: In this paper, the most recent advances in the development of fabrication methods, surface modification, and structural engineering to achieve high catalytic activity and practical applicability for hydrogen evolution reaction (HER) are discussed.
66 citations
TL;DR: In this paper, the authors systematically studied various experimental parameters, such as the amount of reducing agent imidazole, types of imidaze and Ti sources, and determined effects of these parameters on the combustion process and final materials.
60 citations
TL;DR: In this article, BaNb2O6: Pr3+ phosphor was synthesized by conventional solid-state reaction method and its structural, morphological, optical properties and temperature dependent photoluminescence properties were investigated.
57 citations
References
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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.
Abstract: Generalized gradient approximations (GGA’s) for the exchange-correlation energy improve upon the local spin density (LSD) description of atoms, molecules, and solids. We present a simple derivation of a simple GGA, in which all parameters (other than those in LSD) are fundamental constants. Only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked. Improvements over PW91 include an accurate description of the linear response of the uniform electron gas, correct behavior under uniform scaling, and a smoother potential. [S0031-9007(96)01479-2] PACS numbers: 71.15.Mb, 71.45.Gm Kohn-Sham density functional theory [1,2] is widely used for self-consistent-field electronic structure calculations of the ground-state properties of atoms, molecules, and solids. In this theory, only the exchange-correlation energy EXC › EX 1 EC as a functional of the electron spin densities n"srd and n#srd must be approximated. The most popular functionals have a form appropriate for slowly varying densities: the local spin density (LSD) approximation Z d 3 rn e unif
146,533 citations
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.
Abstract: ALTHOUGH the possibility of water photolysis has been investigated by many workers, a useful method has only now been developed. Because water is transparent to visible light it cannot be decomposed directly, but only by radiation with wavelengths shorter than 190 nm (ref. 1).
27,819 citations
TL;DR: Novel features are that the pseudopotential itself becomes charge-state dependent, the usual norm-conservation constraint does not apply, and a generalized eigenproblem is introduced.
Abstract: A new approach to the construction of first-principles pseudopotentials is described. The method allows transferability to be improved systematically while holding the cutoff radius fixed, even for large cutoff radii. Novel features are that the pseudopotential itself becomes charge-state dependent, the usual norm-conservation constraint does not apply, and a generalized eigenproblem is introduced. The potentials have a separable form well suited for plane-wave solid-state calculations, and show promise for application to first-row and transition-metal systems.
18,782 citations
TL;DR: The slow pace of hazardous waste remediation at military installations around the world is causing a serious delay in conversion of many of these facilities to civilian uses as discussed by the authors, which is a serious problem.
Abstract: The civilian, commercial, and defense sectors of most advanced industrialized nations are faced with a tremendous set of environmental problems related to the remediation of hazardous wastes, contaminated groundwaters, and the control of toxic air contaminants. For example, the slow pace of hazardous waste remediation at military installations around the world is causing a serious delay in conversion of many of these facilities to civilian uses. Over the last 10 years problems related to hazardous waste remediation have emerged as a high national and international priority.
17,188 citations
TL;DR: A description and justification of the EXPGUI program, which implements a graphical user interface and shell for the GSAS single-crystal and Rietveld package using the Tcl/Tk scripting language, is presented.
Abstract: A description and justification of the EXPGUI program is presented. This program implements a graphical user interface and shell for the GSAS single-crystal and Rietveld package. Use of the Tcl/Tk scripting language allows EXPGUI to be platform independent. Also included is a synopsis of how the program is implemented.
7,903 citations