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Nanostructured transition metal dichalcogenide electrocatalysts for CO2 reduction in ionic liquid.

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TLDR
Nanostructuring tungsten diselenide nanoflakes enhances catalytic activity for carbon dioxide conversion to carbon monoxide in an ionic liquid medium and applies this catalyst in a light-harvesting artificial leaf platform that concurrently oxidized water in the absence of any external potential.
Abstract
Conversion of carbon dioxide (CO2) into fuels is an attractive solution to many energy and environmental challenges. However, the chemical inertness of CO2 renders many electrochemical and photochemical conversion processes inefficient. We report a transition metal dichalcogenide nanoarchitecture for catalytic electrochemical CO2 conversion to carbon monoxide (CO) in an ionic liquid. We found that tungsten diselenide nanoflakes show a current density of 18.95 milliamperes per square centimeter, CO faradaic efficiency of 24%, and CO formation turnover frequency of 0.28 per second at a low overpotential of 54 millivolts. We also applied this catalyst in a light-harvesting artificial leaf platform that concurrently oxidized water in the absence of any external potential.

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The path towards sustainable energy

TL;DR: Research in materials science is contributing to progress towards a sustainable future based on clean energy generation, transmission and distribution, the storage of electrical and chemical energy, energy efficiency, and better energy management systems.
Journal ArticleDOI

Cocatalysts for Selective Photoreduction of CO2 into Solar Fuels.

TL;DR: Various cocatalysts, such as the biomimetic, metal-based,Metal-free, and multifunctional ones, and their selectivity for CO2 photoreduction are summarized and discussed, along with the recent advances in this area.
Journal ArticleDOI

Emerging Two-Dimensional Nanomaterials for Electrocatalysis

TL;DR: The fundamental relationships between electronic structure, adsorption energy, and apparent activity for a wide variety of 2D electrocatalysts are described with the goal of providing a better understanding of these emerging nanomaterials at the atomic level.
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Ionic Exchange of Metal–Organic Frameworks to Access Single Nickel Sites for Efficient Electroreduction of CO2

TL;DR: This work adopts metal-organic frameworks (MOFs) to assist the preparation of a catalyst containing single Ni sites for efficient electroreduction of CO2 and presents some guidelines for the rational design and accurate modulation of nanostructured catalysts at the atomic scale.
References
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Journal ArticleDOI

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set.

TL;DR: An efficient scheme for calculating the Kohn-Sham ground state of metallic systems using pseudopotentials and a plane-wave basis set is presented and the application of Pulay's DIIS method to the iterative diagonalization of large matrices will be discussed.
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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

TL;DR: A detailed description and comparison of algorithms for performing ab-initio quantum-mechanical calculations using pseudopotentials and a plane-wave basis set is presented in this article. But this is not a comparison of our algorithm with the one presented in this paper.
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Electronics and optoelectronics of two-dimensional transition metal dichalcogenides.

TL;DR: This work reviews the historical development of Transition metal dichalcogenides, methods for preparing atomically thin layers, their electronic and optical properties, and prospects for future advances in electronics and optoelectronics.
Journal ArticleDOI

Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode

TL;DR: In this paper, the stability of reaction intermediates of electrochemical processes on the basis of electronic structure calculations was analyzed and a detailed description of the free energy landscape of the electrochemical oxygen reduction reaction over Pt(111) as a function of applied bias was presented.
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