Journal ArticleDOI
Investigations on the origin of ferromagnetism of Cu doped anatase TiO2 nanotubes
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TLDR
In this article, the role of oxygen defects and dopants of Cu and N on ferromagnetism is discussed in undoped, N-doped and Cu/N-codoped anatase TiO2 nanotube-arrays fabricated by two-step anodization method.About:
This article is published in Materials Research Bulletin.The article was published on 2017-02-01. It has received 10 citations till now. The article focuses on the topics: Ferromagnetism & Absorption spectroscopy.read more
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Preparation, structural and photocatalytic activity of Sn/Fe co-doped TiO2 nanoparticles by sol-gel method
TL;DR: In this paper , the effects of dopant and calcination temperature on the thermal effect, composition, morphology, energy band gap (Eg) and degradation efficiency of methyl orange (MO) under various light irradiations were investigated.
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Tailoring the room temperature ferromagnetism in TiO2 nanoparticles by modulating the concentration of surface oxygen vacancy via La incorporating
TL;DR: In this article, a small amount of La ions were incorporated into the TiO2 lattice by substituting the surface Ti sites, whereas most of the La atoms evenly distributed into the matrix in the form of La2O3.
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A comparative study of CuO deposition methods on titania nanotube arrays for photoelectrocatalytic ammonia degradation and hydrogen production
TL;DR: In this paper, the deposition of CuO nanoparticles into titania nanotube arrays (TiNTAs) was prepared via two methods, i.e., an in-situ anodization (AND) and a successive ionic layer adsorption reaction (SILAR).
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Tunable digital-to-analog switching in Nb2O5-based resistance switching devices by oxygen vacancy engineering
TL;DR: In this article , the transition from abrupt/digital to gradual/analog resistive switching (RS) behavior in Cu/Nb 2 O 5 /Pt memory devices is determined by the number of oxygen vacancies.
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Fe-doped titanite pigment: Synthesis, DFT/TDDFT calculations by Lanczos and Bethe-Salpeter equation methods and comparison of computational and experimental color properties
TL;DR: In this paper, the authors used the Bethe-Salpeter equation (BSE) method to compare the optical properties and colorimetric results of the experimental and computational samples.
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.
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.
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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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Room-Temperature Ferromagnetism in Transparent Transition Metal-Doped Titanium Dioxide
Yuji Matsumoto,Makoto Murakami,T. Shono,Tetsuya Hasegawa,Tomoteru Fukumura,Masashi Kawasaki,Parhat Ahmet,Toyohiro Chikyow,Shin-ya Koshihara,Hideomi Koinuma +9 more
TL;DR: The observation of transparent ferromagnetism in cobalt-doped anatase thin films with the concentration of cobalt between 0 and 8% is reported, indicating the existence of ferromagnetic long-range ordering.