Results 31 to 40 of about 597,070 (307)

Molecular Orbital Calculation of Lead-Free Perovskite Compounds for Efficient Use of Alkaline and Alkaline Earth Metals

open access: yesCrystals, 2020
The effective ionic charges of lead-free perovskite dielectric complex compounds were investigated with molecular orbital calculation. The base model was a double perovskite cluster that consisted of octahedral oxygen cages with a transition metal ion of
Naohisa Takesue, Jun-ichi Saito
doaj   +1 more source

Redox Evolution of Li-Rich Layered Cathode Materials

open access: yesBatteries, 2022
Li-rich layered oxides utilizing reversible oxygen redox are promising cathodes for high-energy-density lithium-ion batteries. However, they exhibit different electrochemical profiles before and after oxygen redox activation.
Liang Fang   +3 more
doaj   +1 more source

Manganese acquisition and homeostasis at the host-pathogen interface

open access: yesFrontiers in Cellular and Infection Microbiology, 2013
Pathogenic bacteria acquire transition metals for cell viability and persistence of infection in competition with host nutritional defenses. The human host employs a variety of mechanisms to stress the invading pathogen with both cytotoxic metal ions ...
John P Lisher, David P Giedroc
doaj   +1 more source

Nitride tuning of transition metal perovskites

open access: yesAPL Materials, 2020
Transition metal perovskite oxynitrides are emergent materials for applications as visible light-active photocatalysts for water splitting and CO2 reduction and as thermoelectric, dielectric, and magnetic materials.
Amparo Fuertes
doaj   +1 more source

Transition Metal Coordination Compounds as Novel Materials for Dye-Sensitized Solar Cells

open access: yesApplied Sciences, 2022
Dye-sensitized solar cells (DSSCs) are a novel solar cell alternative characterized by lower toxicity by using coordination transition metal compounds while providing high performance benchmarks, such as power conversion efficiency.
Klaudia Pawlus, Tomasz Jarosz
doaj   +1 more source

A Current Induced Transition in atomic-sized contacts of metallic Alloys [PDF]

open access: yes, 2003
We have measured conductance histograms of atomic point contacts made from the noble-transition metal alloys CuNi, AgPd, and AuPt for a concentration ratio of 1:1.
A. Enomoto   +25 more
core   +6 more sources

A Review of the Melting Curves of Transition Metals at High Pressures Using Static Compression Techniques

open access: yesCrystals, 2021
The accurate determination of melting curves for transition metals is an intense topic within high pressure research, both because of the technical challenges included as well as the controversial data obtained from various experiments.
Paraskevas Parisiades
doaj   +1 more source

Quasi-non-local gradient-level exchange-correlation approximation for metals and alloys

open access: yes, 2012
The flexibility of common generalized gradient approximation for the exchange-correlation energy is investigated by monitoring the equilibrium volume of transition metals.
Kokko, K.   +3 more
core   +1 more source

Energetics of hydrogen coverage on group VIII transition metal surfaces and a kinetic model for adsorption/desorption [PDF]

open access: yes, 2005
We determined the binding energy of hydrogen to the closest packed surface for all nine group VIII transition metals as a function of surface coverage using quantum mechanics (density functional theory with the generalized gradient approximation) with ...
Francesco Faglioni   +2 more
core   +1 more source

An engineered palette of metal ion quenchable fluorescent proteins. [PDF]

open access: yesPLoS ONE, 2014
Many fluorescent proteins have been created to act as genetically encoded biosensors. With these sensors, changes in fluorescence report on chemical states in living cells.
Xiaozhen Yu   +6 more
doaj   +1 more source

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