☆ 4.7 Article

Mn-Based Hierarchical Polyhedral 2D/3D Nanostructures MnX2 (X = S, Se, Te) Derived from Mn-Based Metal-Organic Frameworks as High-Performance Electrocatalysts for the Oxygen Evolution Reaction

ENERGY & FUELS (2022)

Journal

ENERGY & FUELS

Volume 36, Issue 17, Pages 10327-10338

Publisher

AMER CHEMICAL SOC

DOI: 10.1021/acs.energyfuels.2c01837

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Funding

Bahauddin Zakariya University, Multan
Princess Nourah bint Abdulrahman University, Riyadh, Saudi Arabia [PNURSP2022R184]

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Abstract

In this study, a series of hierarchical polyhedral 3D nanostructures of Fe-doped manganese-based chalcogenides MnX2 (X = S, Se, Te) incorporating amorphous carbon (C) were successfully synthesized. These materials exhibited lower overpotentials and smaller Tafel slopes, with improved electrocatalytic activity achieved by iron doping. The enhanced efficiency of these materials can be attributed to their larger specific surface area, easy charge transport, and integrated amorphous carbon.

Three-dimensional (3D) nanomaterials are being explored extensively to serve as efficient electrocatalyts, which can be designed through the modification of electronic states of active sites in energy conversion applications. In this work, for the first time, a series of hierarchical polyhedral 3D nanostructures of Fe-doped manganese-based chalcogenides MnX2 (X = S, Se, Te) incorporating amorphous carbon (C) is synthesized using an Mn-based metal-organic framework as the precursor via a two-step hydrothermal route. The MnX2/C hierarchical polyhedral nano-structures (HPNs) (X = S, Se, Te) display remarkable results such as lower overpotentials of 305, 276, and 246 mV at a current density of 10 mA cm(-2) and small Tafel slopes of 85, 90, and 48 mV de(c-1), respectively. Moreover, iron-doped MnX2 (Fe-MnX2/C-HPNs, X = S, Se, Te) display improved electrocatalytic activity, achieving lower overpotentials of 280, 246, and 210 mV at a current density of 10 mA cm-2 and smaller Tafel slopes of 85, 65, and 48 mV dec(-1), respectively. The enhanced efficiency of two-dimensional (2D)/3D hierarchical polyhedral nanostructures (Fe-MnX2/C-HPNs, X = S, Se, Te) is due to the larger specific surface area, easy charge transport, and integrated amorphous carbon. Hence, the construction of exceptionally efficient and low-cost electrocatalysts could be facilitated by this MOF-template approach for multilayer nanostructured materials for future applications.

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Doped 2D VX2 (X = S, Se, Te) monolayers as electrocatalysts for ammonia production: A DFT based study

Ashakiran Maibam, Ravichandar Babarao, Sailaj A. Krishnamurty

Summary: This study explores the electrocatalytic nitrogen fixation on vanadium dichalcogenides (VX2) with non-metal dopants under ambient conditions. The interface chemistry, electronic properties, and synergistic effects of the non-metal dopants on VX2 are investigated, with a focus on several non-metal atoms as catalytic centers. Boron and carbon doped VX2 monolayers are found to be electrocatalytically active for nitrogen reduction reaction (NRR), as evidenced by their efficacity in N2 chemisorption and N-N bond activation. The thermodynamic favourability for product formation, determined by Gibbs free energy differences, plays a pivotal role in the NRR mechanism. Charge transfer, pi-pi* orbital hybridization, and electron donor-acceptor mechanism between the non-metal and N2 are found to modulate the electrocatalytic barrier for NRR on VX2 monolayers. This study proposes boron doped VS2 as an environmentally friendly and efficient electrocatalyst for NRR, with a low overpotential of 0.06 eV.

APPLIED SURFACE SCIENCE (2022)