First-Principles Study of Lattice Dynamics and Thermal Properties of Alkaline-Earth Metal Nitrides CaN, SrN, and BaN
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Superconductivity and Novel Magnetism"
DOI: 10.1007/s10948-017-4007-7
Abstract: We have performed first-principles calculations to investigate the structural, electronic, magnetic, lattice dynamics, and thermodynamic properties of ferromagnetic alkaline earth metal nitrides CaN, SrN, and BaN in the rocksalt structure using the plane-wave pseudopotential approach… read more here.
Keywords: earth metal; lattice dynamics; nitrides srn; metal nitrides ... See more keywords
Enhanced performance for early transition metal nitrides via pseudocapacitance in protic ionic liquid electrolytes
Sign Up to like & getrecommendations! Published in 2017 at "Electrochemistry Communications"
DOI: 10.1016/j.elecom.2017.02.001
Abstract: Abstract Early transition metal nitrides achieve high capacitances via a pseudocapacitive mechanism that involves redox reactions with protons at their surfaces. Typically aqueous electrolytes are the source of protons, therefore the operating voltages are limited… read more here.
Keywords: ionic liquid; transition metal; early transition; protic ionic ... See more keywords
A systematic study on the MEAM interatomic potentials of the transition metal nitrides TMNs (TM=Ti, V, Cr, Fe) binary systems
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2019.07.114
Abstract: Abstract The second nearest-neighbor modified embedded-atom method (2NN MEAM) interatomic potentials for the transition metal nitrides TMNs (TM = Ti, V, Cr, Fe) binary systems have been developed according to a new regulation. The obtained potentials can… read more here.
Keywords: potentials transition; transition metal; meam interatomic; interatomic potentials ... See more keywords
Updates on the development of nanostructured transition metal nitrides for electrochemical energy storage and water splitting
Sign Up to like & getrecommendations! Published in 2017 at "Materials Today"
DOI: 10.1016/j.mattod.2017.03.019
Abstract: There are wide interests in developing high-performance electrode materials for electrochemical energy storage and conversion devices. Among them, transition metal nitrides (TMNs) are suitable for a wide range of devices because they have better electrical… read more here.
Keywords: metal nitrides; metal; water splitting; energy storage ... See more keywords
Mapping the Basicity of Selected 3d and 4d Metal Nitrides: A DFT Study.
Sign Up to like & getrecommendations! Published in 2022 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.2c01812
Abstract: Nitride complexes have been invoked as catalysts and intermediates in a wide variety of transformations and are noted for their tunable acid/base properties. A density functional theory study is reported herein that maps the basicity… read more here.
Keywords: basicity; basicity selected; metal nitrides; mapping basicity ... See more keywords
A map of the inorganic ternary metal nitrides
Sign Up to like & getrecommendations! Published in 2019 at "Nature Materials"
DOI: 10.1038/s41563-019-0396-2
Abstract: Exploratory synthesis in new chemical spaces is the essence of solid-state chemistry. However, uncharted chemical spaces can be difficult to navigate, especially when materials synthesis is challenging. Nitrides represent one such space, where stringent synthesis… read more here.
Keywords: stability; inorganic ternary; chemistry; metal nitrides ... See more keywords
Transition metal nitrides for electrochemical energy applications.
Sign Up to like & getrecommendations! Published in 2020 at "Chemical Society reviews"
DOI: 10.1039/d0cs00415d
Abstract: Transition metal nitrides (TMNs), by virtue of their unique electronic structure, high electrical conductivity, superior chemical stability, and excellent mechanical robustness, have triggered tremendous research interest over the past decade, and showed great potential for… read more here.
Keywords: electrochemical energy; transition metal; energy; metal nitrides ... See more keywords
Theoretical study on structural and mechanical properties of Si-containing ternary transition metal nitrides M0.5Si0.5N (M = Ti, Zr, Hf)
Sign Up to like & getrecommendations! Published in 2023 at "RSC Advances"
DOI: 10.1039/d2ra06423e
Abstract: Si-containing transition-metal nitrides Ti0.5Si0.5N, Zr0.5Si0.5N and Hf0.5Si0.5N with conventional rock salt B1 structure exhibit superior hardness, strength and oxidation resistance. However, the potential phases of the ternary systems at various pressures remain unexplored. In this… read more here.
Keywords: metal nitrides; transition metal; structural mechanical; mechanical properties ... See more keywords
Nonprecious transition metal nitrides as efficient oxygen reduction electrocatalysts for alkaline fuel cells
Sign Up to like & getrecommendations! Published in 2022 at "Science Advances"
DOI: 10.1126/sciadv.abj1584
Abstract: Hydrogen fuel cells have attracted growing attention for high-performance automotive power but are hindered by the scarcity of platinum (and other precious metals) used to catalyze the sluggish oxygen reduction reaction (ORR). We report on… read more here.
Keywords: fuel cells; metal nitrides; nonprecious transition; oxygen reduction ... See more keywords
Recent advances in transition metal nitrides for hydrogen electrocatalysis in alkaline media: From catalyst design to application
Sign Up to like & getrecommendations! Published in 2022 at "Frontiers in Chemistry"
DOI: 10.3389/fchem.2022.1073175
Abstract: Hydrogen (H2) has been considered an ideal alternative energy source for solving energy supply security and greenhouse gas reduction. Although platinum group metal (PGM) catalysts have excellent performance in hydrogen electrocatalysis, their scarcity and high… read more here.
Keywords: metal nitrides; hydrogen electrocatalysis; transition metal; hydrogen ... See more keywords
Transition Metal Nitrides for Electrocatalytic Application: Progress and Rational Design
Sign Up to like & getrecommendations! Published in 2022 at "Nanomaterials"
DOI: 10.3390/nano12152660
Abstract: The energy crisis and environmental issues are becoming more severe due to the long-term consumption of fossil fuels. Therefore, novel energy-conversion devices with high energy density and environmental friendliness are expected to provide reliable alternatives… read more here.
Keywords: transition metal; energy; metal nitrides; metal ... See more keywords