Design and Synthesis of PtPdNiCoMn High‐Entropy Alloy Electrocatalyst for Enhanced Alkaline Hydrogen Evolution Reaction: A Theoretically Supported Predictive Design Approach DOI Open Access
Athira Chandran M, Pritha Dutta, Prashant Singh

et al.

Advanced Functional Materials, Journal Year: 2024, Volume and Issue: unknown

Published: Dec. 29, 2024

Abstract Electrocatalytic hydrogen generation requires a multifunctional electrocatalyst with abundant active sites to drive multielectron transfer reactions. High entropy alloys (HEA) are five or more‐elements high configurational considered unique materials for next‐generation electrocatalysts. Here, in this work, based on new screening guidelines catalyst selections that combine density‐functional theory calculated Gibbs formation‐enthalpy bond length and electronegativity variance, novel HEA consisting of elements, namely, Pt, Pd, Ni, Co, Mn has been designed. By simple room temperature electrodeposition, the designed is prepared its evolution reaction (HER) explored validated through experimental theoretical approaches. The demonstrated superior HER activity an overpotential 22.6 mV at −10 mA cm −2 which outperforms Pt/C commercial catalyst. No evident degradation material detected even after 100 hours continuous operation under current density. Moreover, shown exceptional performance harsh electrolyte conditions such as simulated seawater actual seawater. Remarkably, small (≈0 eV) compared placing near apex Trasatti's model Volcano plot, also suggestive activity.

Language: Английский

Reduced mineral assemblages of superficial origin in west-central Jordan DOI
Oleg S. Vereshchagin, Maya O. Khmelnitskaya,

Mikhail N. Murashko

et al.

Mineralogy and Petrology, Journal Year: 2024, Volume and Issue: 118(2), P. 305 - 319

Published: March 21, 2024

Language: Английский

Citations

4
Iron-based eutectics, a valuable geological record DOI
Oleg S. Vereshchagin, Vladimir V. Shilovskikh, Л. В. Камаева

et al.

Lithos, Journal Year: 2025, Volume and Issue: unknown, P. 108057 - 108057

Published: March 1, 2025

Language: Английский

Citations

0
Dopant-Induced Hexagonal to Orthorhombic Phase Transition in Fe2–xMoxP Nanorods and Its Influence on the Electrocatalytic Hydrogen Evolution Reaction DOI Creative Commons

Jordon Baker,

Danyang Wang, Md. Kawsar Alam

et al.

Chemistry of Materials, Journal Year: 2025, Volume and Issue: unknown

Published: April 28, 2025

Language: Английский

Citations

0
Formation Conditions of Unusual Extremely Reduced High-Temperature Mineral Assemblages in Rocks of Combustion Metamorphic Complexes DOI Creative Commons
I. S. Peretyazhko, Е. A. Savina

Crystals, Journal Year: 2024, Volume and Issue: 14(12), P. 1052 - 1052

Published: Dec. 3, 2024

New data, including Raman spectroscopy, characterize unusual mineral assemblages from rocks of the Naylga and Khamaryn–Khyral–Khiid combustion metamorphic complexes in Mongolia. Several samples melilite–nepheline paralava other thermally altered (metamorphosed) sedimentary contain troilite (FeS), metallic iron Fe0, kamacite α-(Fe,Ni) or Ni-bearing taenite γ-(Fe,Ni) Ni-rich barringerite allabogdanite Fe2P, schreibersite Fe3P, steadite Fe4P = eutectic α-Fe + wüstite FeO, cohenite Fe3C. The matrix includes a fragment composed magnesiowüstite–ferropericlase (FeO–MgO solid solution), as well spinel (Mg,Fe)Al2O4 forsterite. highest-temperature assemblage belongs to xenolithic remnant, possibly Fe-rich sinter, which is molten ash left after underground coal seams. crystallization temperatures observed phases were estimated using phase diagrams for respective systems: Fe–S sulfides Fe–P ± C phosphides. Iron monosulfides (high-temperature pyrrhotite) with inclusions Fe0 underwent solid-state conversion into at 140 °C. phosphides early growth zone anorthite–bytownite crystallized <1370 1165 °C (Fe2P), 1165–1048 (Fe3P), <1048 (Fe4P). Phase relations zoned spherules consisting +Fe0 (or taenite) +Fe3P (Fe3C, Fe4P) reveal potential presence homogeneous Fe–S–P–C melt T~1350 °C, separated two immiscible melts 1350–1250 range; namely, dense Fe–P–C core less rim. evolved accordance cooling paths diagrams. Cohenite between 988 959 minerals used reconstruct redox patterns respect CCO, IW, IM, MW buffer equilibria during melting marly limestone subsequent melts. origin studied CM was explained model implying thermal alteration low-permeable overburden domains reducing conditions wild subsurface fires, while heating transferred conductively adjacent parts ignited fluid (gas) regime zones controlled by CCO excess atomic carbon. Paralava exposed high-temperature extremely contained droplets Fe–S–P–C, Fe–S, Fe–P, melts, then reduced assemblages.

Language: Английский

Citations

1
Structure searching and phase relations in MnN up to 50 GPa: a DFT study DOI
Nursultan E. Sagatov,

Aitolkyn S. Omarkhan,

Assyl-Dastan Bazarbek

et al.

Physical Chemistry Chemical Physics, Journal Year: 2024, Volume and Issue: 26(46), P. 28947 - 28957

Published: Jan. 1, 2024

Based on density functional theory and evolutionary algorithms the thermodynamically stable structures of MnN their stability

Language: Английский

Citations

0
Design and Synthesis of PtPdNiCoMn High‐Entropy Alloy Electrocatalyst for Enhanced Alkaline Hydrogen Evolution Reaction: A Theoretically Supported Predictive Design Approach DOI Open Access
Athira Chandran M, Pritha Dutta, Prashant Singh

et al.

Advanced Functional Materials, Journal Year: 2024, Volume and Issue: unknown

Published: Dec. 29, 2024

Abstract Electrocatalytic hydrogen generation requires a multifunctional electrocatalyst with abundant active sites to drive multielectron transfer reactions. High entropy alloys (HEA) are five or more‐elements high configurational considered unique materials for next‐generation electrocatalysts. Here, in this work, based on new screening guidelines catalyst selections that combine density‐functional theory calculated Gibbs formation‐enthalpy bond length and electronegativity variance, novel HEA consisting of elements, namely, Pt, Pd, Ni, Co, Mn has been designed. By simple room temperature electrodeposition, the designed is prepared its evolution reaction (HER) explored validated through experimental theoretical approaches. The demonstrated superior HER activity an overpotential 22.6 mV at −10 mA cm −2 which outperforms Pt/C commercial catalyst. No evident degradation material detected even after 100 hours continuous operation under current density. Moreover, shown exceptional performance harsh electrolyte conditions such as simulated seawater actual seawater. Remarkably, small (≈0 eV) compared placing near apex Trasatti's model Volcano plot, also suggestive activity.

Language: Английский

Citations

0