Transition metal atom doping engineering of two-dimensional pentagonal PtN2: a theoretical tri-functional electrocatalyst for OER, ORR, and HER

BoLiang Zhang; Xiaoning Guan; Yanan Zhang; Bohao Cui; Yuqing Yang; Dan Liang; Jinbo Hao; Pengfei Lu; Gang Liu

doi:10.1039/d6ta03347d

January 1, 2026Journal of Materials Chemistry A

Transition metal atom doping engineering of two-dimensional pentagonal PtN2: a theoretical tri-functional electrocatalyst for OER, ORR, and HER

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Key Points

The aim is to develop a theoretical model for a tri-functional electrocatalyst using transition metal doping in PtN2 for OER, ORR, and HER.
Theoretical calculations on two-dimensional pentagonal PtN2 structure
Assessment of catalytic performance for electrocatalysis
Transition metal doping strategies evaluated for enhancing activity
Doped PtN2 exhibits significantly improved electrocatalytic activity for OER, ORR, and HER compared to undoped materials
Strong catalytic performance aligns with favorable electronic properties due to transition metal incorporation
Finding positions PtN2 as a promising candidate for next-generation electrochemical energy applications.

Implication

Theoretical analysis demonstrates enhanced electrocatalysis for OER, ORR, and HER in PtN2, indicating its potential utility in energy storage.

Abstract

Speeding up the search for multifunctional electrocatalysts for oxygen evolution reaction (OER), hydrogen evolution reaction (HER) and oxygen reduction reaction (ORR) is very important for developing new electrochemical energy storage...

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Cite This Study

Zhang et al. (2026) studied this question.

synapsesocial.com/papers/6a2a52d980c8f91e7f39ec74 https://doi.org/10.1039/d6ta03347d

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Transition metal atom doping engineering of two-dimensional pentagonal PtN2: a theoretical tri-functional electrocatalyst for OER, ORR, and HER

Key Points

Implication

Abstract

Discussion

Cite This Study

Transition metal atom doping engineering of two-dimensional pentagonal PtN2: a theoretical tri-functional electrocatalyst for OER, ORR, and HER

Key Points

Implication

Abstract

Discussion

Cite This Study

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