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High-performance anodes for rechargeable Li-ion battery are produced by nanostructuring of the transition metal oxides on a conductive support. Here, we demonstrate a hybrid material of MnO2 directly grown onto fabrics of carbon nanotube…

The present study investigates the catalytic performance of a $hg-C_{3}N_{4}$ quantum dot aimed at enhancing electrochemical water splitting, using the first-principles density functional theory. The size of the considered quantum dot lies…

Materials Science · Physics 2024-08-08 Khushboo Dange , Vaishali Roondhe , Alok Shukla

The influence of surface oxygen vacancies on the oxygen evolution reaction on bismuth vanadate is studied using hybrid density functional theory. Our findings reveal the thermodynamic instability of the neutral unionized defect (${\rm…

Materials Science · Physics 2023-06-19 Nicklas Österbacka , Hassan Ouhbi , Francesco Ambrosio , Julia Wiktor

Laterally nanostructured surfaces give rise to a new dimension of understanding and improving electrochemical reactions. In this study, we present a peculiar mechanism appearing at a metal/insulator interface, which can significantly…

The current work studies the electrocatalytic performance of NaNbO$_3$ microcubes decorated with WO$_3$ nanoparticles on Printex L6 at varying concentrations (1%, 3%, 5%, and 10% by weight) for H$_2$O$_2$ electrogeneration aiming for future…

Recently, 2D JTMDs with asymmetric electronic structures are inviting an intense research interest in modern science and technology. Using the first principles-based periodic hybrid dispersion-corrected Density Functional Theory (DFT-D)…

Materials Science · Physics 2022-09-16 Srimanta Pakhira , Shrish Nath Upadhyay

Alkaline water electrolysis is considered a commercially viable option for large-scale hydrogen production. However, this process still faces challenges due to the high voltage (>1.65 V at 10 mA cm$^{-2}$) and its limited stability at…

The oxygen evolution reaction (OER) plays an important role in evaluating a photocatalyst and to understand its surface chemistry. In this work we present a comparative study of the OER on the oxide NaTaO$_3$ (113) surface and the…

Materials Science · Physics 2018-10-17 Hassan Ouhbi , Ulrich Aschauer

The geometric properties of $\mathrm{Pb-MnO_2}$ composite electrodes are studied, and a general formula is presented for the length of the triple phase boundary (TPB) on two dimensional (2D) composite electrodes using sphere packing and…

La$_2$NiO$_4$ is a very promising cathode material for intermediate and low temperature solid oxide cell applications, due to its good electronic and ionic conductivity, together with its high oxygen exchange activity with a low activation…

Advanced materials for electrocatalytic and photoelectrochemical water splitting are central to the area of renewable energy. Here, we developed a solvothermal synthesis of MoS2 nanoparticles selectively on reduced graphene oxide (RGO)…

Materials Science · Physics 2011-04-18 Yanguang Li , Hailiang Wang , Liming Xie , Yongye Liang , Guosong Hong , Hongjie Dai

Janus type Water-Splitting Catalysts have attracted highest attention as a tool of choice for solar to fuel conversion. AISI Ni 42 steel was upon harsh anodization converted in a bifunctional electrocatalyst. Oxygen evolution reaction-…

The transition to sustainable green hydrogen production demands innovative electrocatalyst design strategies that can overcome current technological limitations. This study introduces a comprehensive data-driven approach to predicting and…

Computational Physics · Physics 2024-12-18 Vipin K E , Prahallad Padhan

Oxygen evolution reaction (OER) electrolysis, as an important reaction involved in water splitting and rechargeable metal-air battery, has attracted increasing attention for clean energy generation and efficient energy storage. Nickel/iron…

Materials Science · Physics 2014-11-19 Ming Gong , Hongjie Dai

The use of proton exchange membrane (PEM) electrolyzers is the method of choice for the conversion of solar energy when frequently occurring changes of the current load are an issue. However, this technique requires electrolytes with low…

A novel oxygen evolution reaction (OER) catalyst (3D S235-P steel) based on steel S235 substrate has been successfully prepared via a facile one-step surface modification. The standard Carbon Manganese steel was phosphorizated superficially…

Contrary to traditional approaches, high entropy oxides (HEOs) strategically employ cationic disorder to engineer tunable functionalities. This disorder, stemming from multiple elements at the same crystallographic site, disrupts local…

Nickel-iron layered double hydroxide (NiFe LDH) platelets with high morphological regularity and sub-micrometre lateral dimensions were synthesized using a homogeneous precipitation technique for highly efficient catalysis of the oxygen…

Effective regulation of the morphology of transition metal spinel structures is crucial for creating efficient and stable bifunctional catalysts for electrocatalysis of water. In this work, micro-flower NiCo2O4 (F-NCO) assembled by…

Chemical Physics · Physics 2024-03-27 Yujie Wang , Yan Duan , Yuwen Chen , Man Zhang , Yuchen Wang , Bin Liu , Xiaodie Zhang , Yutong Zhang , Kai Yan

Large scale production of hydrogen by electrochemical water splitting is considered as a promising technology to address critical energy challenges caused by the extensive use of fossil fuels. Although nonprecious nickel-based catalysts…

Chemical Physics · Physics 2021-08-31 Yuting Luo , Zhiyuan Zhang , Fengning Yang , Jiong Li , Zhibo Liu , Wencai Ren , Shuo Zhang , Bilu Liu