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Electrocatalytic CO2 reduction technology is key to mitigating greenhouse gas emissions and the energy crisis. However, controlling the selectivity of CO2RR products at low overpotential remains a challenge. In this paper, we predicted five…

Materials Science · Physics 2024-03-05 Ran Wang , Chaozheng He , Weixing Chen , Qingquan Kong , Thomas Frauenheimac

The nitrogen reduction reaction (NRR), as an efficient and green pathway for ammonia synthesis, plays a crucial role in achieving on-demand ammonia production. This study proposes a novel design concept based on dual-iron atomic sites and…

Materials Science · Physics 2025-03-06 Zhe Zhang , Wenxin Ma , Jiajie Qiao , Xiaoliang Wu , Shaowen Yu , Weiye Hou , Xiang Huang , Rubin Huo , Hongbo Wu , Yusong Tu

Developing efficient electrocatalysts for CO$_2$ reduction into value-added products is crucial for the green economy. Inspired by the recent synthesis of Biphenylene (BPH), we have systematically investigated pristine, defective, and…

Materials Science · Physics 2024-10-28 Radha N Somaiya , Muhammad Sajjad , Nirpendra Singh , Aftab Alam

Exploring and developing low-cost, high-performance, and stable catalysts for the oxygen reduction reaction (ORR) is of great importance, though progress is ongoing. In this work, a simple evaporation-pyrolysis method is employed to…

Materials Science · Physics 2024-10-11 Yuqin Wang , Lizi He , Ning Han

This work reports on the measured performance of an Aluminum Scandium Nitride (AlScN) Two-Dimensional Resonant Rods resonator (2DRR), fabricated by using a Sc-doping concentration of 24%, characterized by a low off-resonance impedance (~25…

Signal Processing · Electrical Eng. & Systems 2022-12-13 Xuanyi Zhao , Onurcan Kaya , Michele Pirro , Meruyert Assylbekova , Luca Colombo , Pietro Simeoni , Cristian Cassella

The electrocatalytic CO2 reduction reaction (CO2RR) is a complex multi-proton-electron transfer process that generates a vast network of reaction intermediates. Accurate prediction of free energy changes (G) of these intermediates and…

Chemical Physics · Physics 2025-04-23 Xuxin Kang , Wenjing Zhou , Ziyuan Li , Zhaoqin Chu , Hanqin Yin , Shan Gao , Aijun Du , Xiangmei Duan

By substituting the Fe with the 4d and 5d-transition metals Rh, Ir and Pd in SrFe_2As_2, we have successfully synthesized a series of superconductors SrFe_{2-x}M_xAs_2 (M = Rh, Ir and Pd) and explored the phase diagrams of them. The…

Superconductivity · Physics 2016-06-28 Fei Han , Xiyu Zhu , Peng Cheng , Gang Mu , Ying Jia , Lei Fang , Yonglei Wang , Huiqian Luo , Bin Zeng , Bing Shen , Lei Shan , Cong Ren , Hai-Hu Wen

Increasing anthropogenic carbon dioxide (CO$_2$) emissions have led to rising global temperatures and climate change. Using earth-abundant metal-oxide catalysts such as Cu$_2$O for reducing CO$_2$ through RWGS reaction seems lucrative. In…

The photochemical CO2 reduction reaction represents a zero-carbon pathway for converting CO2 into value-added chemicals, yet its industrial implementation has been constrained by low selectivity and product diversity. Dirac nodal arc…

Materials Science · Physics 2026-02-23 Kangwang Wang , Jie Zhan , Jun Liu , Zaichen Xiang , Wanyi Zhang , Lingyong Zeng , Kai Yan , Yan Sun , Huixia Luo

This study investigates the structural, electronic, and catalytic properties of pristine and doped C$_4$N$_2$ nanosheets as potential electrocatalysts for the hydrogen evolution reaction. The pristine C$_{36}$N$_{18}$ nanosheets exhibit…

We examined doping effect of 3d transition metal elements (TM: Cr, Mn, Co, Ni, and Cu) at the Fe site of a quaternary fluoroarsenide CaFeAsF, an analogue of 1111-type parent compound LaFeAsO. The anomaly at ~120 K observed in resistivity…

Clean hydrogen production through efficient and cost-effective electrochemical water splitting is highly promising to meeting future global energy demands. The design of Earth-abundant materials with both high activity for hydrogen…

The development of high-activity and low-price cathodic catalysts to facilitate the electrochemical sluggish O$_2$ reduction reaction (ORR) is very important to achieve the commercial application of fuel cells. Here, we have investigated…

Materials Science · Physics 2023-07-14 Ashok Singh , Srimanta Pakhira

Ammonia, a versatile compound that can be used as a fertilizer, chemical or fuel, has since long been produced through the energy-intensive Haber-Bosch process. Recently, the electrochemical nitrate reduction reaction (NO3RR) using…

Earth-abundant two-dimensional (2D) pristine transition metal dichalcogenides (TMDs) have emerged as a superlative class of materials for several applications in electronic devices, energy storage devices, gas sensing, etc., and they have…

Materials Science · Physics 2021-06-29 Joy Ekka , Shrish Nath Upadhyay , Verma Bunty Sardar , Srimanta Pakhira

The conversion of waste carbon dioxide (CO2) gas into valuable products and fuels through an electrocatalytic CO2 reduction reaction (CO2RR) is a promising approach. The sluggish kinetics of the CO2RR require the development of novel…

Materials Science · Physics 2024-04-16 Lokesh Yadav , Srimanta Pakhira

By substituting Fe with the 5d-transition metal Pt in BaFe2As2, we have successfully synthesized the superconductors BaFe2-xPtxAs2. The systematic evolution of the lattice constants indicates that the Fe ions were successfully replaced by…

Superconductivity · Physics 2015-05-18 Xiyu Zhu , Fei Han , Gang Mu , Jun Tang , Jing Ju , Katsumi Tanigaki , Hai-Hu Wen

TMDs are a new family of 2D materials with features that make them appealing for potential applications in nanomaterials science and engineering. Although, the edges of the 2D TMDs show excellent electrocatalytic performance, their basal…

Materials Science · Physics 2022-09-20 Shrish Nath Upadhyay , Srimanta Pakhira

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…

Electrochemical CO2 reduction is a promising strategy for utilization of CO2 and intermittent excess electricity. Cu is the only single-metal catalyst that can electrochemically convert CO2 to multi-carbon products. However, Cu has an…

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