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    Renewable and sustainable green energy generation using Bi-functional TMOs decorated layered carbon nitride anchored on MXene for oxygen evolution reactions and urea oxidation reaction performance
    (2025-12-01)
    Vasu, Dhanapal
    ;
    Vittayakorn, Naratip
    ;
    Chang, Shih Hsien
    ;
    Lin, Kai Hsuan
    ;
    Chiu, Te Wei
    This article presents a comprehensive evaluation of a novel V<inf>2</inf>O<inf>5</inf>–graphitic carbon nitride (gCN)/MXene (Ti<inf>3</inf>C<inf>2</inf>Tx) composite (VGM) electrocatalyst, designed to enhance the oxygen evolution reaction (OER) and urea oxidation reaction (UOR). The VGM material was synthesized through a combination of hydrofluoric acid (HF) etching and thermal polymerization, offering a new approach for integrating transition metal oxides with 2D materials. Structural and surface analyses confirmed the successful formation of the hybrid catalyst with well-defined morphology and composition. Electrochemical studies revealed an impressively low overpotential of 151 mV and a Tafel slope of 95 mV/dec for OER, indicating excellent catalytic efficiency. The hybrid structure synergistically combines the high redox activity of V<inf>2</inf>O<inf>5</inf>, the large surface area of gCN, and the conductivity of MXene, leading to superior electrochemical performance. Additionally, the catalyst effectively drives the UOR, enabling simultaneous hydrogen generation and urea-rich wastewater remediation. This work introduces a cost-effective and multifunctional electrocatalyst design strategy, offering both energy and environmental benefits.
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    Boosting sustainable hydrogen production via water splitting and urea oxidation using spinel hollow-sphere nano catalysts
    (2025-10-01)
    Lin, Hsin Yu
    ;
    Vasu, Dhanapal
    ;
    Tsang, Chun Han
    ;
    Hsu, Cheng Shan
    ;
    Prashanth, Gopi
    In this study, spinel MgCo<inf>2</inf>O<inf>4</inf> materials were synthesized using three different techniques: freeze-drying, solid-state, and hydrothermal methods, to evaluate their structural, morphological, and electrocatalytic properties. Comprehensive characterization techniques including XRD, Raman spectroscopy, FT-IR, FESEM, HRTEM, and XPS confirmed the successful formation of phase-pure MgCo<inf>2</inf>O<inf>4</inf> with varied morphologies. Among the synthesized materials, the freeze-dried sample exhibited a well-defined hollow-sphere structure, providing abundant electroactive sites and superior electron/mass transport pathways. This morphology contributed to outstanding electrocatalytic performance. For the oxygen evolution reaction (OER), the hollow-sphere MgCo<inf>2</inf>O<inf>4</inf> catalyst demonstrated a low overpotential of 430 mV at 10 mA cm<sup>−2</sup> and a Tafel slope of 190 mV dec<sup>−1</sup>. In addition, the same catalyst exhibited excellent activity for the urea oxidation reaction (UOR), with a Tafel slope of 95 mV dec<sup>−1</sup> and enhanced current density under alkaline conditions. The superior UOR activity, enabled by the lower oxidation potential of urea (∼0.37 V vs. RHE), also highlights its potential for energy-efficient hydrogen production and wastewater treatment. This work establishes a scalable and cost-effective strategy to synthesize high-performance MgCo<inf>2</inf>O<inf>4</inf> hollow-sphere electrocatalysts, paving the way for their application in sustainable energy and environmental technologies.
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    First-Principles Screening of 3d-Transition-Metal-Doped Hydrous Cobalt Phosphate Catalysts for Enhanced Oxygen Evolution Reaction
    (2025-09-01)
    Rittiruam, Meena
    ;
    Saelee, Tinnakorn
    ;
    Khajondetchairit, Patcharaporn
    ;
    Ektarawong, Annop
    ;
    Alling, Björn
    Hydrous cobalt phosphate (CoPO) is a promising OER catalyst, but its activity is limited by poor electron transport and weak intermediate binding. This study reveals how 3d transition metal dopants can be used to tune these properties through first-principles calculations. Sc, Ti, V, and Cr improve catalytic activity by promoting electron transfer and stabilizing *O intermediates, while Mn, Fe, Cu, and Zn reduce performance. Among all candidates, Ni doping strikes the optimal balance, enhancing conductivity and providing moderate *O binding energy that minimizes overpotential. These trends follow electronic descriptors such as d-band center and electronegativity, and are validated by volcano plot analysis. Ni-CoPO emerges as the most effective design, offering a clear strategy for improving OER catalysts by controlling dopant identity and electronic structure.
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