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Items: 1 to 50 of 182

1.

Understanding Catalytic Activity Trends in the Oxygen Reduction Reaction.

Kulkarni A, Siahrostami S, Patel A, Nørskov JK.

Chem Rev. 2018 Mar 14;118(5):2302-2312. doi: 10.1021/acs.chemrev.7b00488. Epub 2018 Feb 6.

PMID:
29405702
2.

A theoretical study of the effect of a non-aqueous proton donor on electrochemical ammonia synthesis.

Zhang L, Mallikarjun Sharada S, Singh AR, Rohr BA, Su Y, Qiao L, Nørskov JK.

Phys Chem Chem Phys. 2018 Feb 14;20(7):4982-4989. doi: 10.1039/c7cp05484j.

PMID:
29387843
3.

Trends in adsorption of electrocatalytic water splitting intermediates on cubic ABO3 oxides.

Montoya JH, Doyle AD, Nørskov JK, Vojvodic A.

Phys Chem Chem Phys. 2018 Jan 31;20(5):3813-3818. doi: 10.1039/c7cp06539f.

PMID:
29349458
4.

Theoretical Investigations of the Electrochemical Reduction of CO on Single Metal Atoms Embedded in Graphene.

Kirk C, Chen LD, Siahrostami S, Karamad M, Bajdich M, Voss J, Nørskov JK, Chan K.

ACS Cent Sci. 2017 Dec 27;3(12):1286-1293. doi: 10.1021/acscentsci.7b00442. Epub 2017 Dec 18.

5.

Understanding activity trends in electrochemical water oxidation to form hydrogen peroxide.

Shi X, Siahrostami S, Li GL, Zhang Y, Chakthranont P, Studt F, Jaramillo TF, Zheng X, Nørskov JK.

Nat Commun. 2017 Sep 26;8(1):701. doi: 10.1038/s41467-017-00585-6.

6.

Understanding the Influence of [EMIM]Cl on the Suppression of the Hydrogen Evolution Reaction on Transition Metal Electrodes.

Feaster JT, Jongerius AL, Liu X, Urushihara M, Nitopi SA, Hahn C, Chan K, Nørskov JK, Jaramillo TF.

Langmuir. 2017 Sep 19;33(37):9464-9471. doi: 10.1021/acs.langmuir.7b01170. Epub 2017 Jul 10.

PMID:
28691827
7.

Electrochemical CO2 reduction on Au surfaces: mechanistic aspects regarding the formation of major and minor products.

Cave ER, Montoya JH, Kuhl KP, Abram DN, Hatsukade T, Shi C, Hahn C, Nørskov JK, Jaramillo TF.

Phys Chem Chem Phys. 2017 Jun 21;19(24):15856-15863. doi: 10.1039/c7cp02855e.

PMID:
28585950
8.

Electrochemical Activation of CO2 through Atomic Ordering Transformations of AuCu Nanoparticles.

Kim D, Xie C, Becknell N, Yu Y, Karamad M, Chan K, Crumlin EJ, Nørskov JK, Yang P.

J Am Chem Soc. 2017 Jun 21;139(24):8329-8336. doi: 10.1021/jacs.7b03516. Epub 2017 Jun 7.

PMID:
28551991
9.

Understanding trends in electrochemical carbon dioxide reduction rates.

Liu X, Xiao J, Peng H, Hong X, Chan K, Nørskov JK.

Nat Commun. 2017 May 22;8:15438. doi: 10.1038/ncomms15438.

10.

Electrochemical generation of sulfur vacancies in the basal plane of MoS2 for hydrogen evolution.

Tsai C, Li H, Park S, Park J, Han HS, Nørskov JK, Zheng X, Abild-Pedersen F.

Nat Commun. 2017 Apr 21;8:15113. doi: 10.1038/ncomms15113.

11.

To address surface reaction network complexity using scaling relations machine learning and DFT calculations.

Ulissi ZW, Medford AJ, Bligaard T, Nørskov JK.

Nat Commun. 2017 Mar 6;8:14621. doi: 10.1038/ncomms14621.

12.

One- or Two-Electron Water Oxidation, Hydroxyl Radical, or H2O2 Evolution.

Siahrostami S, Li GL, Viswanathan V, Nørskov JK.

J Phys Chem Lett. 2017 Mar 16;8(6):1157-1160. doi: 10.1021/acs.jpclett.6b02924. Epub 2017 Feb 27.

PMID:
28231706
13.

Mechanistic insights into heterogeneous methane activation.

Latimer AA, Aljama H, Kakekhani A, Yoo JS, Kulkarni A, Tsai C, Garcia-Melchor M, Abild-Pedersen F, Nørskov JK.

Phys Chem Chem Phys. 2017 Feb 1;19(5):3575-3581. doi: 10.1039/c6cp08003k.

PMID:
28094377
14.

Combining theory and experiment in electrocatalysis: Insights into materials design.

Seh ZW, Kibsgaard J, Dickens CF, Chorkendorff I, Nørskov JK, Jaramillo TF.

Science. 2017 Jan 13;355(6321). pii: eaad4998. doi: 10.1126/science.aad4998. Review.

PMID:
28082532
15.

Materials for solar fuels and chemicals.

Montoya JH, Seitz LC, Chakthranont P, Vojvodic A, Jaramillo TF, Nørskov JK.

Nat Mater. 2016 Dec 20;16(1):70-81. doi: 10.1038/nmat4778. Review.

PMID:
27994241
16.

Direct and continuous strain control of catalysts with tunable battery electrode materials.

Wang H, Xu S, Tsai C, Li Y, Liu C, Zhao J, Liu Y, Yuan H, Abild-Pedersen F, Prinz FB, Nørskov JK, Cui Y.

Science. 2016 Nov 25;354(6315):1031-1036.

PMID:
27885028
17.

Understanding trends in C-H bond activation in heterogeneous catalysis.

Latimer AA, Kulkarni AR, Aljama H, Montoya JH, Yoo JS, Tsai C, Abild-Pedersen F, Studt F, Nørskov JK.

Nat Mater. 2017 Feb;16(2):225-229. doi: 10.1038/nmat4760. Epub 2016 Oct 10.

PMID:
27723737
18.

A highly active and stable IrOx/SrIrO3 catalyst for the oxygen evolution reaction.

Seitz LC, Dickens CF, Nishio K, Hikita Y, Montoya J, Doyle A, Kirk C, Vojvodic A, Hwang HY, Norskov JK, Jaramillo TF.

Science. 2016 Sep 2;353(6303):1011-1014.

PMID:
27701108
19.

Automated Discovery and Construction of Surface Phase Diagrams Using Machine Learning.

Ulissi ZW, Singh AR, Tsai C, Nørskov JK.

J Phys Chem Lett. 2016 Oct 6;7(19):3931-3935. Epub 2016 Sep 22.

PMID:
27558978
20.

Potential Dependence of Electrochemical Barriers from ab Initio Calculations.

Chan K, Nørskov JK.

J Phys Chem Lett. 2016 May 5;7(9):1686-90. doi: 10.1021/acs.jpclett.6b00382. Epub 2016 Apr 21.

PMID:
27088442
21.

Analyzing the Case for Bifunctional Catalysis.

Andersen M, Medford AJ, Nørskov JK, Reuter K.

Angew Chem Int Ed Engl. 2016 Apr 18;55(17):5210-4. doi: 10.1002/anie.201601049. Epub 2016 Mar 23.

PMID:
27005967
22.

Bifunctional alloys for the electroreduction of CO2 and CO.

Hansen HA, Shi C, Lausche AC, Peterson AA, Nørskov JK.

Phys Chem Chem Phys. 2016 Apr 7;18(13):9194-201. doi: 10.1039/c5cp07717f.

PMID:
26974516
23.

Intrinsic Selectivity and Structure Sensitivity of Rhodium Catalysts for C(2+) Oxygenate Production.

Yang N, Medford AJ, Liu X, Studt F, Bligaard T, Bent SF, Nørskov JK.

J Am Chem Soc. 2016 Mar 23;138(11):3705-14. doi: 10.1021/jacs.5b12087. Epub 2016 Mar 9.

PMID:
26958997
24.

Corrigendum: Activating and optimizing MoS2 basal planes for hydrogen evolution through the formation of strained sulphur vacancies.

Li H, Tsai C, Koh AL, Cai L, Contryman AW, Fragapane AH, Zhao J, Han HS, Manoharan HC, Abild-Pedersen F, Nørskov JK, Zheng X.

Nat Mater. 2016 Mar;15(3):364. doi: 10.1038/nmat4564. No abstract available.

PMID:
26906963
25.

Surface Tension Effects on the Reactivity of Metal Nanoparticles.

Li L, Abild-Pedersen F, Greeley J, Nørskov JK.

J Phys Chem Lett. 2015 Oct 1;6(19):3797-801. doi: 10.1021/acs.jpclett.5b01746. Epub 2015 Sep 10.

PMID:
26722873
26.

Acetaldehyde as an Intermediate in the Electroreduction of Carbon Monoxide to Ethanol on Oxide-Derived Copper.

Bertheussen E, Verdaguer-Casadevall A, Ravasio D, Montoya JH, Trimarco DB, Roy C, Meier S, Wendland J, Nørskov JK, Stephens IE, Chorkendorff I.

Angew Chem Int Ed Engl. 2016 Jan 22;55(4):1450-4. doi: 10.1002/anie.201508851. Epub 2015 Dec 21.

27.

Theoretical Insight into the Trends that Guide the Electrochemical Reduction of Carbon Dioxide to Formic Acid.

Yoo JS, Christensen R, Vegge T, Nørskov JK, Studt F.

ChemSusChem. 2016 Feb 19;9(4):358-63. doi: 10.1002/cssc.201501197. Epub 2015 Dec 10.

PMID:
26663854
28.

Activating and optimizing MoS2 basal planes for hydrogen evolution through the formation of strained sulphur vacancies.

Li H, Tsai C, Koh AL, Cai L, Contryman AW, Fragapane AH, Zhao J, Han HS, Manoharan HC, Abild-Pedersen F, Nørskov JK, Zheng X.

Nat Mater. 2016 Jan;15(1):48-53. doi: 10.1038/nmat4465. Epub 2015 Nov 9. Erratum in: Nat Mater. 2016 Mar;15(3):364.

PMID:
26552057
29.

Selective Electrochemical Generation of Hydrogen Peroxide from Water Oxidation.

Viswanathan V, Hansen HA, Nørskov JK.

J Phys Chem Lett. 2015 Nov 5;6(21):4224-8. doi: 10.1021/acs.jpclett.5b02178. Epub 2015 Oct 12.

PMID:
26538037
30.

Mechanistic insights into nitrogen fixation by nitrogenase enzymes.

Varley JB, Wang Y, Chan K, Studt F, Nørskov JK.

Phys Chem Chem Phys. 2015 Nov 28;17(44):29541-7. doi: 10.1039/c5cp04034e. Epub 2015 Sep 14.

PMID:
26366854
31.

Understanding the Reactivity of Layered Transition-Metal Sulfides: A Single Electronic Descriptor for Structure and Adsorption.

Tsai C, Chan K, Nørskov JK, Abild-Pedersen F.

J Phys Chem Lett. 2014 Nov 6;5(21):3884-9. doi: 10.1021/jz5020532. Epub 2014 Oct 24.

PMID:
26278764
32.

Electrochemical Barriers Made Simple.

Chan K, Nørskov JK.

J Phys Chem Lett. 2015 Jul 16;6(14):2663-8. doi: 10.1021/acs.jpclett.5b01043. Epub 2015 Jun 24.

PMID:
26266844
33.

Toward Controlled Growth of Helicity-Specific Carbon Nanotubes.

Santos EJ, Nørskov JK, Harutyunyan AR, Abild-Pedersen F.

J Phys Chem Lett. 2015 Jun 18;6(12):2232-7. doi: 10.1021/acs.jpclett.5b00880. Epub 2015 Jun 2.

PMID:
26266596
34.

Theoretical Insights into a CO Dimerization Mechanism in CO2 Electroreduction.

Montoya JH, Shi C, Chan K, Nørskov JK.

J Phys Chem Lett. 2015 Jun 4;6(11):2032-7. doi: 10.1021/acs.jpclett.5b00722. Epub 2015 May 18.

PMID:
26266498
35.

Al-Air Batteries: Fundamental Thermodynamic Limitations from First-Principles Theory.

Chen LD, Nørskov JK, Luntz AC.

J Phys Chem Lett. 2015 Jan 2;6(1):175-9. doi: 10.1021/jz502422v. Epub 2014 Dec 22.

PMID:
26263108
36.

The Challenge of Electrochemical Ammonia Synthesis: A New Perspective on the Role of Nitrogen Scaling Relations.

Montoya JH, Tsai C, Vojvodic A, Nørskov JK.

ChemSusChem. 2015 Jul 8;8(13):2180-6. doi: 10.1002/cssc.201500322. Epub 2015 Jun 10.

PMID:
26097211
37.

Strong Influence of Coadsorbate Interaction on CO Desorption Dynamics on Ru(0001) Probed by Ultrafast X-Ray Spectroscopy and Ab Initio Simulations.

Xin H, LaRue J, Öberg H, Beye M, Dell'Angela M, Turner JJ, Gladh J, Ng ML, Sellberg JA, Kaya S, Mercurio G, Hieke F, Nordlund D, Schlotter WF, Dakovski GL, Minitti MP, Föhlisch A, Wolf M, Wurth W, Ogasawara H, Nørskov JK, Öström H, Pettersson LG, Nilsson A, Abild-Pedersen F.

Phys Rev Lett. 2015 Apr 17;114(15):156101. Epub 2015 Apr 16.

38.

A systematic study of metal-supported boron nitride materials for the oxygen reduction reaction.

Koitz R, Nørskov JK, Studt F.

Phys Chem Chem Phys. 2015 May 21;17(19):12722-7. doi: 10.1039/c5cp01384d.

PMID:
25904075
39.

Surface chemistry. Probing the transition state region in catalytic CO oxidation on Ru.

Öström H, Öberg H, Xin H, LaRue J, Beye M, Dell'Angela M, Gladh J, Ng ML, Sellberg JA, Kaya S, Mercurio G, Nordlund D, Hantschmann M, Hieke F, Kühn D, Schlotter WF, Dakovski GL, Turner JJ, Minitti MP, Mitra A, Moeller SP, Föhlisch A, Wolf M, Wurth W, Persson M, Nørskov JK, Abild-Pedersen F, Ogasawara H, Pettersson LG, Nilsson A.

Science. 2015 Feb 27;347(6225):978-82. doi: 10.1126/science.1261747. Epub 2015 Feb 12.

40.

On the role of the surface oxygen species during A-H (A = C, N, O) bond activation: a density functional theory study.

Yoo JS, Khan TS, Abild-Pedersen F, Nørskov JK, Studt F.

Chem Commun (Camb). 2015 Feb 14;51(13):2621-4. doi: 10.1039/c4cc08658a.

PMID:
25571859
41.

Identification of highly active Fe sites in (Ni,Fe)OOH for electrocatalytic water splitting.

Friebel D, Louie MW, Bajdich M, Sanwald KE, Cai Y, Wise AM, Cheng MJ, Sokaras D, Weng TC, Alonso-Mori R, Davis RC, Bargar JR, Nørskov JK, Nilsson A, Bell AT.

J Am Chem Soc. 2015 Jan 28;137(3):1305-13. doi: 10.1021/ja511559d. Epub 2015 Jan 16.

42.

Theoretical evaluation of the surface electrochemistry of perovskites with promising photon absorption properties for solar water splitting.

Montoya JH, Garcia-Mota M, Nørskov JK, Vojvodic A.

Phys Chem Chem Phys. 2015 Jan 28;17(4):2634-40. doi: 10.1039/c4cp05259e. Epub 2014 Dec 11.

PMID:
25502921
43.

Insights into carbon nanotube nucleation: cap formation governed by catalyst interfacial step flow.

Rao R, Sharma R, Abild-Pedersen F, Nørskov JK, Harutyunyan AR.

Sci Rep. 2014 Oct 13;4:6510. doi: 10.1038/srep06510.

44.

Hydrogen adsorption on bimetallic PdAu(111) surface alloys: minimum adsorption ensemble, ligand and ensemble effects, and ensemble confinement.

Takehiro N, Liu P, Bergbreiter A, Nørskov JK, Behm RJ.

Phys Chem Chem Phys. 2014 Nov 21;16(43):23930-43. doi: 10.1039/c4cp02589j. Epub 2014 Oct 6.

PMID:
25283234
45.

Nanoscale limitations in metal oxide electrocatalysts for oxygen evolution.

Viswanathan V, Pickrahn KL, Luntz AC, Bent SF, Nørskov JK.

Nano Lett. 2014 Oct 8;14(10):5853-7. doi: 10.1021/nl502775u. Epub 2014 Sep 18.

PMID:
25216362
46.

Catalysis. Assessing the reliability of calculated catalytic ammonia synthesis rates.

Medford AJ, Wellendorff J, Vojvodic A, Studt F, Abild-Pedersen F, Jacobsen KW, Bligaard T, Nørskov JK.

Science. 2014 Jul 11;345(6193):197-200. doi: 10.1126/science.1253486.

47.

Active edge sites in MoSe2 and WSe2 catalysts for the hydrogen evolution reaction: a density functional study.

Tsai C, Chan K, Abild-Pedersen F, Nørskov JK.

Phys Chem Chem Phys. 2014 Jul 14;16(26):13156-64. doi: 10.1039/c4cp01237b.

PMID:
24866567
48.

Reactivity Descriptor in Solid Acid Catalysis: Predicting Turnover Frequencies for Propene Methylation in Zeotypes.

Wang CM, Brogaard RY, Weckhuysen BM, Nørskov JK, Studt F.

J Phys Chem Lett. 2014 May 1;5(9):1516-21. doi: 10.1021/jz500482z. Epub 2014 Apr 14.

PMID:
26270089
49.

Discovery of a Ni-Ga catalyst for carbon dioxide reduction to methanol.

Studt F, Sharafutdinov I, Abild-Pedersen F, Elkjær CF, Hummelshøj JS, Dahl S, Chorkendorff I, Nørskov JK.

Nat Chem. 2014 Apr;6(4):320-4. doi: 10.1038/nchem.1873. Epub 2014 Mar 2.

PMID:
24651199
50.

Tuning the MoS₂ edge-site activity for hydrogen evolution via support interactions.

Tsai C, Abild-Pedersen F, Nørskov JK.

Nano Lett. 2014 Mar 12;14(3):1381-7. doi: 10.1021/nl404444k. Epub 2014 Feb 10.

PMID:
24499163

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