Results 11 to 20 of about 597,070 (307)

Research progress in anode transition metal-based catalysts for direct methanol fuel cell

open access: yes工程科学学报, 2022
The development of alternative energy resources is of great significance to alleviate the global energy issue. The direct methanol fuel cell (DMFC) is gradually becoming one of the most promising portable energy technologies due to the merits of low ...
Shi-quan GUO, Ya-xin SUN, Cong-ju LI
doaj   +1 more source

Approximating metal–insulator transitions [PDF]

open access: yesInternational Journal of Modern Physics B, 2015
We consider quantum wave propagation in one-dimensional quasiperiodic lattices. We propose an iterative construction of quasiperiodic potentials from sequences of potentials with increasing spatial period. At each finite iteration step, the eigenstates reflect the properties of the limiting quasiperiodic potential properties up to a controlled maximum
Danieli, Carlo   +4 more
openaire   +3 more sources

Metal-insulator transition in transition metal dichalcogenide heterobilayer moiré superlattices [PDF]

open access: yesPhysical Review B, 2021
Moir superlattices formed in two-dimensional semiconductor heterobilayers provide a new realization of Hubbard model physics in which the number of electrons per effective atom can be tuned at will. We report on an exact diagonalization study of the electronic properties of half-filled narrow moir bands in which correlation strengths are varied by ...
Nicolás Morales-Durán   +2 more
openaire   +2 more sources

Theoretical Study Using First-Principles Calculations of the Electronic Structures of Magnesium Secondary Battery Cathode Materials MgCo2−xMnxO4 (x = 0, 0.5) in the Pristine and Discharged States

open access: yesElectrochemistry, 2021
In this study, the projected density of states (PDOS) of the stable normal-spinel structure and stable Mg/Co mixed-cation spinel structure of Mg1+yCo2−xMnxO4 (x = 0, 0.5; y = 0, 0.5, 1) in the pristine and discharged states are obtained using first ...
Chiaki ISHIBASHI   +4 more
doaj   +1 more source

Ordered intermetallic compounds combining precious metals and transition metals for electrocatalysis

open access: yesFrontiers in Chemistry, 2022
Ordered intermetallic alloys with significantly improved activity and stability have attracted extensive attention as advanced electrocatalysts for reactions in polymer electrolyte membrane fuel cells (PEMFCs).
Meicheng Yang, Jinxin Wan, Chao Yan
doaj   +1 more source

Amorphous As2S3 Doped with Transition Metals: An Ab Initio Study of Electronic Structure and Magnetic Properties

open access: yesNanomaterials, 2023
Crystalline transition-metal chalcogenides are the focus of solid state research. At the same time, very little is known about amorphous chalcogenides doped with transition metals.
Vladimir G. Kuznetsov   +4 more
doaj   +1 more source

Synthesis and inclusion behavior of a heterotritopic receptor based on hexahomotrioxacalix[3]arene [PDF]

open access: yes, 2014
A heterotritopic hexahomotrioxacalix[3]arene receptor with the capability of binding two alkali metals and a transition metal in a cooperative fashion was synthesized.
Cong, Hang   +5 more
core   +2 more sources

Molecular Switches Containing Transition Metals

open access: yesCHIMIA, 2003
The synthesis and the characterization of a novel dithienylethene-based molecular switch bearing metal complexes are described.
Vincent Adamo, Peter Belser
doaj   +1 more source

Magnetic, electronic and vibrational properties of metal and fluorinated metal phthalocyanines [PDF]

open access: yes, 2013
The magnetic and electronic properties of metal phthalocyanines (MPc) and fluorinated metal phthalocyanines (F$_{16}$MPc) are studied by means of spin density functional theory (SDFT).
Arillo-Flores, O. I.   +4 more
core   +2 more sources

First-Principles Investigation of Ru- and Pt-Doped TiO2 Brookite Surfaces

open access: yesInternational Journal of Electrochemical Science, 2020
The electronic structures and optical properties of brookite TiO2 (100) and (110) surfaces doped with transition metals (Ru and Pt) have been investigated by first-principles calculations based on the density functional theory, employing generalized ...
Ratshilumela Steve Dima   +2 more
doaj   +1 more source

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