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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

In an effort to develop breakthrough technologies that enable drastic reduction in CO2 emissions from steel industry (ULCOS project), the reduction of iron ore by pure hydrogen in a direct reduction shaft furnace was investigated. After…

Materials Science · Physics 2014-02-10 Andrea Ranzani Da Costa , D. Wagner , Fabrice Patisson

Design novel solid oxide electrolyte with enhanced ionic conductivity forms one of the Holy Grails in the field of materials science due to its great potential for wide range of energy applications. Conventional solid oxide electrolyte…

Metal-support interactions are frequently invoked to explain the enhanced catalytic activity of metal nanoparticles dispersed over reducible metal-oxide supports, yet the atomic scale mechanisms are rarely known. Here, we use scanning…

MoS2 are facile, stable, non-toxic, affordable materials with reasonable price, and have exhibit its superior potential in catalysis, sensing, opt electrochemical, environmental relate application1, etc. Modification of MoS2 materials has…

Materials Science · Physics 2020-12-03 Yang Cao

It is shown that surface conduction can stabilize electrodeposition in random, charged porous media at high rates, above the diffusion-limited current. After linear sweep voltammetry and impedance spectroscopy, copper electrodeposits are…

Chemical Physics · Physics 2016-03-24 Ji-Hyung Han , Miao Wang , Peng Bai , Fikile R. Brushett , Martin Z. Bazant

The strategic design of ferroelectric materials exhibiting robust and reversible spontaneous polarization remains a pivotal challenge in functional materials research. Here, A-site cation disorder engineering is employed in the n = 2…

Efficient electro-catalytic water-splitting technologies require suitable catalysts for the oxygen evolution reaction (OER). The development of novel catalysts could benefit from the achievement of a complete understanding of the reaction…

Materials Science · Physics 2020-04-22 Francesco Nattino , Nicola Marzari

Hybrid supports composed of chemically-reduced graphene-oxide-aligned with tungsten oxide nanowires are considered here as active carriers for dispersed platinum with an ultimate goal of producing improved catalysts for electroreduction of…

Rate theory and DFT calculations of hydrogen evolution reaction (HER) on MoS2 with Co, Ni and Pt impurities show the significance of dihydrogen (H2*) complex where both hydrogen atoms are interacting with the surface. Stabilization of such…

Materials Science · Physics 2024-09-05 Sander Ø. Hanslin , Hannes Jónsson , Jaakko Akola

Simultaneous catalytic hydrogen (H2) production and plastic waste degradation under light, known as photoreforming, is a novel approach to green fuel production and efficient waste management. Here, we use a high-entropy oxide (HEO), a new…

Materials Science · Physics 2024-12-03 Thanh Tam Nguyen , Kaveh Edalati

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

Critical to the development of improved solid oxide fuel cell (SOFC) technology are novel compounds with high oxygen reduction reaction (ORR) catalytic activity and robust stability under cathode operating conditions. Approximately 2145…

Materials Science · Physics 2019-01-10 Ryan Jacobs , Tam Mayeshiba , John Booske , Dane Morgan

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…

This study evaluates the dissolution of the supported electrocatalysts Pd/C, PdSn/C, PdNb/C, and PdFe3O4/C during ethanol oxidation reaction for ADLFC applications. A scanning flow cell (SFC) coupled to an inductively coupled mass…

We used by in-situ high energy X-ray diffraction to inestigate the deformation behavior of Grade 2 commercially pure titanium that was hydrogen charged to form hydrides. The results showed that the peak broadening in the diffraction…

Materials Science · Physics 2022-01-26 Qing Tan , Zhiran Yan , Runguang Li , Yang Ren , Yandong Wang , Baptiste Gault , Stoichko Antonov

Oxygen vacancies in transition metal oxides facilitate catalysis critical for energy storage and generation. However, it has proven elusive to promote vacancies at the lower temperatures required for operation in devices such as metal-air…

Materials Science · Physics 2016-06-08 Jonathan R. Petrie , Hyoungjeen Jeen , Sara C. Barron , Tricia L. Meyer , Ho Nyung Lee

The vision of a hydrogen economy demands efficient platforms to close the gap between sustainable proton sources and solid-state hydrogen carriers. Metal hydrides serve as key carriers, yet their synthesis remains constrained by the…

The hydrogen evolution reaction (HER) is central to sustainable hydrogen production, and nitrogen coordinated dual atom catalysts (DACs) offer a promising route to noble metal activity at low cost. Yet their vast compositional and…

Higher loading of active electrode materials is desired in batteries, especially those based on conversion reactions, for enhanced energy density and cost efficiency. However, increasing active material loading in electrodes can cause…

Machine Learning · Computer Science 2024-12-30 Vidushi Sharma , Andy Tek , Khanh Nguyen , Max Giammona , Murtaza Zohair , Linda Sundberg , Young-Hye La