About: Reaction Mechanisms for the Electrochemical Reduction of CO2 to CO and Formate on the Cu(100) Surface at 298K from Quantum Mechanics Free Energy Calculations with Explicit Water.

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About: Reaction Mechanisms for the Electrochemical Reduction of CO2 to CO and Formate on the Cu(100) Surface at 298K from Quantum Mechanics Free Energy Calculations with Explicit Water. Goto Sponge NotDistinct Permalink

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description	article científic (ca) article scientific (oc) articol științific (ro) articolo scientifico (it) artigo científico (gl) artikull shkencor (sq) artikulong pang-agham (tl) artykuł naukowy (pl) artículu científicu (ast) bilimsel makale (tr) mokslinis straipsnis (lt) scienca artikolo (eo) teaduslik artikkel (et) tieteellinen artikkeli (fi) tudományos cikk (hu) vedecký článok (sk) vetenskaplig artikel (sv) vitenskapelig artikkel (nb) vitskapeleg artikkel (nn) vědecký článek (cs) wetenschappelijk artikel (nl) wissenschaftlicher Artikel (de) επιστημονικό άρθρο (el) мақолаи илмӣ (tg) научна статия (bg) научная статья (ru) научни чланак (sr) מאמר מדעי (he) სამეცნიერო სტატია (ka) บทความทางวิทยาศาสตร์ (th) bài báo khoa học (vi) naučni članak (sr-el) мақолаи илмӣ (tg-cyrl) научни чланак (sr-ec) գիտական հոդված (hy) مقالة علمية (ar) scientific article (en) سائنسی مضمون (ur) مقالهٔ علمی (fa) ২০১৬-এ প্রকাশিত বৈজ্ঞানিক নিবন্ধ (bn) 2016 nî lūn-bûn (nan) 2016年の論文 (ja) 2016年学术文章 (zh-cn) 2016年学术文章 (zh-sg) 2016年学术文章 (zh-hans) 2016年学术文章 (wuu) 2016年学术文章 (zh-my) 2016年學術文章 (zh) 2016年學術文章 (zh-hk) 2016年學術文章 (zh-tw) 2016年學術文章 (zh-hant) 2016年學術文章 (yue) 2016年學術文章 (zh-mo) 2016년 논문 (ko) artigo científico (publicado na 2016) (pt-br) artículo científico publicado en 2016 (es) article scientifique (publié 2016) (fr) artigo científico (publicado na 2016) (pt) videnskabelig artikel (udgivet 2016) (da) наукова стаття, опублікована в жовтні 2016 (uk)
publication date	wds:Q54065902-3F0928E5-7256-4AD5-A8EB-3171E56392DA
publication date	2016-10-11 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q54065902-2BB64BE5-85B3-4017-82EF-204DAF59D007
language of work or name	English
author name string	wds:Q54065902-11EFF205-5026-4192-A700-E7D09F554FBA
author name string	William A Goddard
rdfs:label	Reaction Mechanisms for the Electrochemical Reduction of CO2 to CO and Formate on the Cu (nl) Reaction Mechanisms for the Electrochemical Reduction of CO2 to CO and Formate on the Cu(100) Surface at 298K from Quantum Mechanics Free Energy Calculations with Explicit Water. (en)
skos:prefLabel	Reaction Mechanisms for the Electrochemical Reduction of CO2 to CO and Formate on the Cu (nl) Reaction Mechanisms for the Electrochemical Reduction of CO2 to CO and Formate on the Cu(100) Surface at 298K from Quantum Mechanics Free Energy Calculations with Explicit Water. (en)
name	Reaction Mechanisms for the Electrochemical Reduction of CO2 to CO and Formate on the Cu (nl) Reaction Mechanisms for the Electrochemical Reduction of CO2 to CO and Formate on the Cu(100) Surface at 298K from Quantum Mechanics Free Energy Calculations with Explicit Water. (en)
author	wds:Q54065902-2422A4B0-90E9-48C7-9F5F-A2C44ABC890C wds:Q54065902-CE1B0D4E-1D0E-4836-93CC-BF3F4375D0BC
author	Hai Xiao Tao Cheng
title	wds:Q54065902-58E7A869-25F0-4A1A-BF74-5FD00546AB1F
title	Reaction Mechanisms for the Electrochemical Reduction of CO2 to CO and Formate on the Cu(100) Surface at 298K from Quantum Mechanics Free Energy Calculations with Explicit Water. (en)
instance of	wds:Q54065902-CC10D0B7-578A-4C5F-9F33-2C49F00E9CD0
instance of	scholarly article
main subject	wds:Q54065902-1CE0FF08-A122-46F2-BC83-5587875E56BA
main subject	quantum mechanics
PubMed ID	wds:Q54065902-78BD07E1-2B4A-4E36-AB78-0B806B5C7A6E
PubMed ID	http://rdf.ncbi.nlm.nih.gov/pubchem/reference/27726392
PubMed ID	27726392
published in	wds:Q54065902-420B0D94-1232-47B1-BEC4-B83A9DC82EEB
published in	Journal of the American Chemical Society
DOI	wds:Q54065902-D61F57BE-2CC8-400B-82D7-6795E6F50447
DOI	http://dx.doi.org/10.1021/JACS.6B08534
DOI	10.1021/JACS.6B08534
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q54065902
is cites work of	Synergy between Fe and Ni in the optimal performance of (Ni,Fe)OOH catalysts for the oxygen evolution reaction Cu metal embedded in oxidized matrix catalyst to promote CO2 activation and CO dimerization for electrochemical reduction of CO2. Copper atom-pair catalyst anchored on alloy nanowires for selective and efficient electrochemical reduction of CO2 Reaction intermediates during operando electrocatalysis identified from full solvent quantum mechanics molecular dynamics Dramatic differences in carbon dioxide adsorption and initial steps of reduction between silver and copper Reaction mechanism and kinetics for CO2 reduction on nickel single atom catalysts from quantum mechanics Rational Design of Sulfur-Doped Copper Catalysts for the Selective Electroreduction of Carbon Dioxide to Formate. Evidence for product-specific active sites on oxide-derived Cu catalysts for electrochemical CO2 reduction

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