Transition metal atom doping engineering of two-dimensional pentagonal PtN 2 : a theoretical tri-functional electrocatalyst for the OER, ORR, and HER
- 10 June 2026
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of Materials Chemistry A
- Vol. 14 (43) , 29266-29280
Abstract
The catalytic performance of PtN 2 doped single transition metal atoms in the OER, ORR and HER is studied using density functional theory.Keywords
Funding Information
- Key Programme (2023YFB3608901)
- National Key Research and Development Program of China
This publication has 65 references indexed in Scilit:
- Role of bonding filling on HER/OER/ORR multifunctional catalytic activity in transition‐metals‐doped PdPX (X = S, Se, Te)Rare Metals, 2024
- Transition metal clusters with precise numbers of atoms anchored on graphdiyne as multifunctional electrocatalysts for OER/ORR/HER: a computational studyRare Metals, 2024
- Machine Learning-Assisted Low-Dimensional Electrocatalysts Design for Hydrogen Evolution ReactionNano-Micro Letters, 2023
- High Capacity and Fast Kinetics of Potassium-Ion Batteries Boosted by Nitrogen-Doped Mesoporous Carbon SpheresNano-Micro Letters, 2021
- Interfacial Engineering of W2N/WC Heterostructures Derived from Solid‐State Synthesis: A Highly Efficient Trifunctional Electrocatalyst for ORR, OER, and HERAdvanced Materials, 2019
- Hollow PdCu2@Pt core@shell nanoparticles with ordered intermetallic cores as efficient and durable oxygen reduction reaction electrocatalystsApplied Catalysis B: Environment and Energy, 2018
- Two-dimensional germanium monochalcogenides for photocatalytic water splitting with high carrier mobilityApplied Catalysis B: Environment and Energy, 2017
- Semiempirical GGA‐type density functional constructed with a long‐range dispersion correctionJournal of Computational Chemistry, 2006
- Carbon supported Pt–Co alloys as methanol-resistant oxygen-reduction electrocatalysts for direct methanol fuel cellsApplied Catalysis B: Environment and Energy, 2005
- Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis setComputational Materials Science, 1996