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The CO_{2} electro-reduction reaction (CORR) is a promising avenue to convert greenhouse gases into high-value fuels and chemicals, in addition to being an attractive method for storing intermittent renewable energy. Although…

Electrochemical CO2 reduction offers a method to use renewable electricity to convert CO2 into CO and other carbon-based chemical building blocks. While nearly all studies rely on a CO2 feed, we show herein that aqueous bicarbonate…

The production of multicarbon (C2+) products through electrocatalytic CO2 reduction reaction (CO2RR) is crucial to addressing global environmental challenges and advancing sustainable energy solutions. However, efficiently producing these…

Photoreduction of CO$_2$ is an important alternative approach aimed to reduce the CO$_2$ atmospheric content which is responsible of the global warming. The development of an efficient photocatalyst can strongly improve the efficiency and…

Materials Science · Physics 2025-04-29 Onofrio Tau , Giacomo Giorgi , Riccardo Rurali

Electrochemical energy and substance conversion devices involve complex electrode processes, characterized by multiple charge transfer steps, competing pathways, and various intermediates. Such complexity makes it challenging to enhance…

Electrochemical CO2 reduction reaction (CO2RR) using 2D nanomaterials has emerged as a sophisticated approach to mitigate industrial CO2 emissions. In this work, the potential application of pristine as well as strategically Fe, Co,…

Materials Science · Physics 2025-09-23 Md. Mostaqul Islam , Ahmed Zubair

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…

Membrane-electrode-assembly (MEA) cells with copper (Cu) cathodes show strong potential for electrochemical CO2 reduction to ethylene (C2H4), but achieving high C2H4 selectivity remains a challenge due to competing hydrogen evolution. This…

Chemical Physics · Physics 2025-09-03 Tugrul Y. Ertugrul , Woong Choi , Adam Z. Weber , Alexis T. Bell

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

Cobalt-porphyrin catalyzed reductive decomposition of CO2 to CO is investigated based on Koper's water facilitated CO2 reduction mechanism using a simple but accurate protocol based on thermodynamics. In our protocol, accurate predictions…

Mesoscale and Nanoscale Physics · Physics 2019-05-06 Kaito Miyamoto , Ryoji Asahi

Addressing climate change calls for action to control CO$_2$ pollution. Direct air and ocean capture offer a solution to this challenge. Making carbon capture competitive with alternatives, such as forestation and mineralisation, requires…

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

Electrochemical CO2 reduction (eCO2R) represents a pivotal strategy for mitigating global carbon emissions while simultaneously converting renewable energy into storable chemical fuels. Copper-based catalysts have been extensively explored…

Boron-doped graphene was reported to be the best non-metal doped graphene electrocatalyst for the oxygen reduction reaction (ORR) working at an onset potential of 0.035 V [JACS 136 (2014) 4394]. In the present DFT study, intermediates and…

Materials Science · Physics 2016-07-28 Gianluca Fazio , Lara Ferrighi , Cristiana Di Valentin

We apply first principles computational techniques to analyze the two-electron, multi-step, electrochemical reduction of CO2 to CO in water using cobalt porphyrin as a catalyst. Density Functional Theory calculations with hybrid functionals…

Chemical Physics · Physics 2011-01-06 Kevin Leung , Ida M. B. Nielsen , Na Sai , Craig J. Medforth , J. A. Shelnutt

The conversion of CO2 into high-value chemicals through a photoreduction reaction in water is a promising route to reduce the dependence on fossil fuels. Ag nanoparticles can drive this reaction via localized surface plasmon resonance, but…

Electrochemical conversion of CO2 (CO2R) into fuels and chemicals can both reduce CO2 emissions and allow for clean manufacturing in the scenario of significant expansion of renewable power generation. However, large-scale process…

Chemical Physics · Physics 2021-02-17 Magda H. Barecka , Joel W. Ager , Alexei A. Lapkin

Hydrogen has emerged as a promising energy source, holding the key to achieve low-carbon and sustainable mobility. However, its applications are still limited by modest conversion efficiency in the electrocatalytic oxygen reduction reaction…

Metallic bismuth is both non-toxic and cost-effective. Bi-based catalysts have demonstrated the ability to efficiently produce HCOOH through CO2RR while effectively inhibiting the HER. Although many experiments have been reported concerning…

Chemical Physics · Physics 2024-09-19 Mengting Zhou , Hongxia Liu , Juntao Yan , Qingjun Chen , Rong Chen , Lei Liu

The development of noble-metal free electrocatalysts is of high importance for clean energy conversion applications. MoS$_2$ has been considered as a promising low cost catalyst for the hydrogen evolution reaction (HER), however its…

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