Results 211 to 220 of about 74,163 (353)

Correcting Errors in the Adsorbed Intermediates of CO2 Electroreduction

open access: yesCarbon Energy, EarlyView.
Flying over Jacob's ladder of density functional approximations: chemical accuracy in the DFT‐based modeling of CO2 reduction electrocatalysis can be approached with our simple semiempirical method to deconvolute and correct gas‐phase errors and adsorbed‐phase errors.
Ricardo Urrego‐Ortiz   +5 more
wiley   +1 more source

Alloying Cu, Fe, and Co in Ni/YSZ Electrodes for High‐Temperature CO2 Electrolysis: Impact on TPB Density, Activity, and Carbon Deposition Resistance

open access: yesCarbon Energy, EarlyView.
Systematic alloying of Ni with Cu, Fe, and Co in Ni/YSZ electrodes modifies active site density up to 43%, decreases activation energies by up to 44%, and reduces carbon deposition fourfold. Cu–Ni alloy is among the most promising alloy catalysts for electrochemical CO2 reduction in SOECs.
Min Jun Oh   +9 more
wiley   +1 more source

Pt–Ti Coordination at Oxygen Vacancies Activates Single‐Atom Catalysis for Broad‐pH Hydrogen Evolution

open access: yesCarbon Energy, EarlyView.
Defect engineering anchors near‐zero‐valent Pt single atoms at oxygen vacancies of TiO2, forming distinctive Pt–Ti coordination that regulates electron density and optimizes hydrogen adsorption. The vacancy‐induced metal‐support interaction facilitates efficient electron transfer and accelerates water dissociation, enabling pH‐universal hydrogen ...
Qing Zhang   +10 more
wiley   +1 more source

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