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The electrochemical performances of the {\alpha}-MnO2/Vulcan XC-72 and {\delta}-MnO2/Vulcan XC-72 nanostructures in hydrogen peroxide (H2O2) electrosynthesis were compared herein. Both materials were synthesized by a simple hydrothermal…

Materials Science · Physics 2025-05-13 João Paulo C Moura , Vanessa S Antonin , Aline B Trench , Mauro C Santos

The atomic-scale determination of hydrogen positions in MoSH monolayers remains experimentally challenging, and existing studies are confined to Janus-type configurations. Here, we combine high-throughput structural screening with…

Materials Science · Physics 2025-04-15 Zhijing Huang , Hongmei Xie , Zhibin Gao , Longyuzhi Xu , Lin Zhang , Li Yang , Zonglin Gu , Shuming Zeng

We study the electronic structure and superconductivity in CuO$_2$ monolayer grown recently on $d$-wave cuprate superconductor Bi$_2$Sr$_2$CaCu$_2$O$_{8+\delta}$. Density functional theory calculations indicate significant charge transfer…

Superconductivity · Physics 2018-12-04 Kun Jiang , Xianxin Wu , Jiangping Hu , Ziqiang Wang

An effective method for increasing the electrocatalytic activity of metallic glasses (MGs) in hydrogen evolution reaction (HER) is reported. This method applies a noble metal hybridization strategy to design a highly reactive catalyst for…

Materials Science · Physics 2022-03-14 Peng Zou , Bowen Zang , Lijian Song , Juntao Huo , Jun-Qiang Wang

This investigation demonstrates that the pentagonal PdTe2 (penta-PdTe2) monolayer is a highly tunable two-dimensional (2D) photocatalyst, characterized by the bandgap of 1.75 eV and high hole mobility. Using density functional theory…

Materials Science · Physics 2026-03-31 Narender Kumar , Shambhu Bhandari , Dario Alfè , Nacir Tit , Ravindra Pandey

The correlation between ex situ electronic conductivity, oxygen vacancy content, flat-band potential (Efb), and the oxygen evolution reaction (OER) activity for a wide range of perovskite compositions are investigated experimentally and…

Development of cost-effective hydrogen evolution reaction (HER) catalysts with outstanding catalytic activity, replacing cost-prohibitive noble metal-based catalysts, is critical for practical green hydrogen production. A popular strategy…

Facing with grave climate change and enormous energy demand, catalyzer gets more and more important due to its significant effect on reducing fossil fuels consumption. Hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) by…

Materials Science · Physics 2023-09-07 Yuan Chang , Panlong Zhai , Jungang Hou , Jijun Zhao , Junfeng Gao

The optoelectronic properties induced by oxygen vacancy defects in MgO(111) monolayers have been studied using hybrid level of DFT method. HSE calculations shows significant reduction in electronic band gap of MgO monolayer as a result of…

Materials Science · Physics 2022-04-20 Rituparna Hazarika , Bulumoni Kalita

The rational design of transition metal dichalcogenide electrocatalysts for efficiently catalyzing hydrogen evolution reaction (HER) is believed to lead to the generation of a renewable energy carrier. To this end our work has made three…

MoS2 nanostructures are promising catalysts for proton-exchange-membrane (PEM) electrolyzers to replace expensive noble metals. Their broadscale application demands high activity for the hydrogen evolution reaction (HER) as well as robust…

The crystal structure of MoS$_2$ with strong covalent bonds in plane and weak Van der Waals interactions out of plane gives rise to interesting properties for applications such as solid lubrication, optoelectronics, and catalysis, which can…

Materials Science · Physics 2021-07-28 Rijan Karkee , Enrique Guerrero , David A. Strubbe

Manganese oxides have received much attention over the years among the wide range of electrocatalysts for the oxygen evolution reaction (OER) due to their low toxicity, high abundance and rich redox chemistry. While many previous studies…

Materials Science · Physics 2020-10-15 Javier Villalobos , Ronny Golnak , Lifei Xi , Götz Schuck , Marcel Risch

Transition metal oxides are state-of-the-art materials for catalysing the oxygen evolution reaction (OER), whose slow kinetics currently limit the efficiency of water electrolysis. However, microscale physicochemical heterogeneity between…

Current supercapacitors present several distinct limitations that severely inhibit the efficiency, power, and electrical capacitance of energy storage devices. Supercapacitors present an exciting prospect that has countless applications in…

Materials Science · Physics 2016-06-03 Sydney Marler

Designing efficient, metal free, and in-expensive catalyst for electrochemical hydrogen evolution reaction (HER) is crucial for large scale clean and green energy production. Recently synthesized 1D Biphenylene nanoribbons (BPRs) display…

Materials Science · Physics 2024-05-29 Radha N Somaiya , Zicong Marvin Wong , Brahmananda Chakraborty , Teck Leong Tan , Aftab Alam

For generation of sustainable, clean and highly efficient energy, the electrocatalytic oxygen evolution reaction represents an attractive platform, thus inviting immense research activities in recent years. However, designing the catalyst…

Single-atom catalysts (SACs) have attracted ever-growing interest due to their high atom-utilization efficiency and potential for cost-effective of hydrogen production. However, enhancing the hydrogen evolution reaction (HER) performance…

Materials Science · Physics 2025-03-11 Feng Sun , Xuqiang Zhang , Jiangtao Chen , Yun Zhao , Yan Li

This work reports the demonstration of ALD-deposited NiO/\b{eta}-Ga2O3 heterojunction diodes (HJDs) on low doped drift layer and highly doped (001) & (100) n+ substrates with experimental observation of a parallel-plane junction electric…

Materials Science · Physics 2025-03-25 Yizheng Liu , Shane M. W. Witsell , John F. Conley , Sriram Krishnamoorthy

Molybdenum sulfide (MoS$_2$) has attracted significant attention due to its great potential as a low-cost and efficient catalyst for the hydrogen evolution reaction. Developing a facile, easily upscalable, and inexpensive approach to…

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