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Items: 1 to 50 of 54

1.

Field Effect Modulation of Electrocatalytic Hydrogen Evolution at Back-Gated Two-Dimensional MoS2 Electrodes.

Wang Y, Udyavara S, Neurock M, Frisbie CD.

Nano Lett. 2019 Sep 11;19(9):6118-6123. doi: 10.1021/acs.nanolett.9b02079. Epub 2019 Aug 26.

PMID:
31434483
2.

Electrochemically Driven, Ni-Catalyzed Aryl Amination: Scope, Mechanism, and Applications.

Kawamata Y, Vantourout JC, Hickey DP, Bai P, Chen L, Hou Q, Qiao W, Barman K, Edwards MA, Garrido-Castro AF, deGruyter JN, Nakamura H, Knouse K, Qin C, Clay KJ, Bao D, Li C, Starr JT, Garcia-Irizarry C, Sach N, White HS, Neurock M, Minteer SD, Baran PS.

J Am Chem Soc. 2019 Apr 17;141(15):6392-6402. doi: 10.1021/jacs.9b01886. Epub 2019 Apr 2.

PMID:
30905151
3.

Effects of chloride ions in acid-catalyzed biomass dehydration reactions in polar aprotic solvents.

Mellmer MA, Sanpitakseree C, Demir B, Ma K, Elliott WA, Bai P, Johnson RL, Walker TW, Shanks BH, Rioux RM, Neurock M, Dumesic JA.

Nat Commun. 2019 Mar 8;10(1):1132. doi: 10.1038/s41467-019-09090-4.

4.

Scalable and safe synthetic organic electroreduction inspired by Li-ion battery chemistry.

Peters BK, Rodriguez KX, Reisberg SH, Beil SB, Hickey DP, Kawamata Y, Collins M, Starr J, Chen L, Udyavara S, Klunder K, Gorey TJ, Anderson SL, Neurock M, Minteer SD, Baran PS.

Science. 2019 Feb 22;363(6429):838-845. doi: 10.1126/science.aav5606.

PMID:
30792297
5.

Catalysis for Fuels: general discussion.

Niemantsverdriet H, van Helden P, Hensen E, Lennon D, Holt K, Hutchings G, Bowker M, Catlow R, Shozi M, Jewell L, Claeys M, Hayward J, Coville N, Fischer N, Roldan A, Redekop E, Gambu T, Deeplal L, Mkhwanazi TPO, Weststrate KJ, Bahnemann D, Neurock M, Schulz H, Ma D, Kondrat S, Collier P, Gupta AK, Corma A, Akomeah P, Iglesia E, van Steen E, de Leeuw N, Wolf M, van Heerden T.

Faraday Discuss. 2017 Apr 28;197:165-205. doi: 10.1039/c7fd90010d. No abstract available.

PMID:
28429020
6.

Hydrocarbon conversion in the production of synthetic fuels: general discussion.

Jewell L, Hutchings G, Bowker M, Hensen E, Claeys M, Hayward J, Fischer N, McCord S, van Steen E, Tucker C, Neurock M, Schulz H, Olsbye U, Ma D, Collier P, Zheng Y, Corma A, Kapteijn F, Yarulina I, Hadebe S, Iglesia E, Lennon D, Davis B.

Faraday Discuss. 2017 Apr 28;197:473-489. doi: 10.1039/c7fd90012k. No abstract available.

PMID:
28426041
7.

Designing new catalysts for synthetic fuels: general discussion.

Holt K, Jewell L, Niemantsverdriet H, Macheli L, Shozi M, Hutchings G, Wezendonk T, Bowker M, Catlow R, Adam S, Kooyman PJ, Hensen E, Hayward J, Coville N, Weststrate KJ, Fischer N, Roldan A, Redekop E, van Steen E, Friedrich H, Kuo DH, Bandaru H, Deeplal L, Zivkovic A, Naiker K, Tucker C, Mkhwanazi TPO, Bahnemann D, Neurock M, Petersen A, Forbes RP, Phaahlamohlaka T, Schulz H, Lennon D, Olsbye U, Wolf M, Kondrat S, Collier P, Sun X, Zheng Y, Corma A, Iglesia E, Nyathi T, Ma D, Bremmer M, Claeys M, Kapteijn F.

Faraday Discuss. 2017 Apr 28;197:353-388. doi: 10.1039/c7fd90011b. No abstract available.

PMID:
28422221
8.

Novel photocatalysts: general discussion.

Hutchings G, Bowker M, Catlow R, Nyathi T, Abdullah I, Claeys M, Coville N, Roldan A, van Helden P, Fischer N, van Steen E, Jewell L, Mokoloko L, Bahnemann D, Neurock M, Kapteijn F, Iglesia E, Gibson P, Holt K, Domen K, Gupta AK.

Faraday Discuss. 2017 Apr 19. doi: 10.1039/c7fd90013a. [Epub ahead of print] No abstract available.

PMID:
28421222
9.

Theoretical insights into the sites and mechanisms for base catalyzed esterification and aldol condensation reactions over Cu.

Neurock M, Tao Z, Chemburkar A, Hibbitts DD, Iglesia E.

Faraday Discuss. 2017 Apr 28;197:59-86. doi: 10.1039/c6fd00226a.

PMID:
28332665
10.

Generalized Temporal Acceleration Scheme for Kinetic Monte Carlo Simulations of Surface Catalytic Processes by Scaling the Rates of Fast Reactions.

Dybeck EC, Plaisance CP, Neurock M.

J Chem Theory Comput. 2017 Apr 11;13(4):1525-1538. doi: 10.1021/acs.jctc.6b00859. Epub 2017 Mar 28.

PMID:
28195719
11.

Formation, Migration, and Reactivity of Au-CO Complexes on Gold Surfaces.

Wang J, McEntee M, Tang W, Neurock M, Baddorf AP, Maksymovych P, Yates JT Jr.

J Am Chem Soc. 2016 Feb 10;138(5):1518-26. doi: 10.1021/jacs.5b09052. Epub 2016 Jan 28.

PMID:
26754257
12.

Aqueous proton transfer across single-layer graphene.

Achtyl JL, Unocic RR, Xu L, Cai Y, Raju M, Zhang W, Sacci RL, Vlassiouk IV, Fulvio PF, Ganesh P, Wesolowski DJ, Dai S, van Duin AC, Neurock M, Geiger FM.

Nat Commun. 2015 Mar 17;6:6539. doi: 10.1038/ncomms7539.

13.

Electric field changes on Au nanoparticles on semiconductor supports--the molecular voltmeter and other methods to observe adsorbate-induced charge-transfer effects in Au/TiO2 nanocatalysts.

McEntee M, Stevanovic A, Tang W, Neurock M, Yates JT Jr.

J Am Chem Soc. 2015 Feb 11;137(5):1972-82. doi: 10.1021/ja511982n. Epub 2015 Feb 3.

PMID:
25610956
14.

Selective catalytic oxidative-dehydrogenation of carboxylic acids-acrylate and crotonate formation at the Au/TiO2 interface.

McEntee M, Tang W, Neurock M, Yates JT Jr.

J Am Chem Soc. 2014 Apr 2;136(13):5116-20. doi: 10.1021/ja500928h. Epub 2014 Mar 19.

PMID:
24597473
15.

Insights into catalytic oxidation at the Au/TiO(2) dual perimeter sites.

Green IX, Tang W, Neurock M, Yates JT Jr.

Acc Chem Res. 2014 Mar 18;47(3):805-15. doi: 10.1021/ar400196f. Epub 2013 Dec 30.

PMID:
24372536
16.

Mechanistic role of water on the rate and selectivity of Fischer-Tropsch synthesis on ruthenium catalysts.

Hibbitts DD, Loveless BT, Neurock M, Iglesia E.

Angew Chem Int Ed Engl. 2013 Nov 18;52(47):12273-8. doi: 10.1002/anie.201304610. Epub 2013 Oct 2.

PMID:
24123803
17.

Consequences of metal-oxide interconversion for C-H bond activation during CH4 reactions on Pd catalysts.

Chin YH, Buda C, Neurock M, Iglesia E.

J Am Chem Soc. 2013 Oct 16;135(41):15425-42. doi: 10.1021/ja405004m. Epub 2013 Oct 1.

PMID:
24083571
18.

Mechanistic insights into the partial oxidation of acetic acid by O2 at the dual perimeter sites of a Au/TiO2 catalyst.

Green IX, Tang W, Neurock M, Yates JT Jr.

Faraday Discuss. 2013;162:247-65.

PMID:
24015587
19.

Mechanistic insights into ring-opening and decarboxylation of 2-pyrones in liquid water and tetrahydrofuran.

Chia M, Haider MA, Pollock G 3rd, Kraus GA, Neurock M, Dumesic JA.

J Am Chem Soc. 2013 Apr 17;135(15):5699-708. doi: 10.1021/ja312075r. Epub 2013 Apr 9.

PMID:
23517240
20.

CO chemisorption and dissociation at high coverages during CO hydrogenation on Ru catalysts.

Loveless BT, Buda C, Neurock M, Iglesia E.

J Am Chem Soc. 2013 Apr 24;135(16):6107-21. doi: 10.1021/ja311848e. Epub 2013 Apr 11.

PMID:
23480097
21.

Catalytic consequences of open and closed grafted Al(III)-calix[4]arene complexes for hydride and oxo transfer reactions.

Nandi P, Tang W, Okrut A, Kong X, Hwang SJ, Neurock M, Katz A.

Proc Natl Acad Sci U S A. 2013 Feb 12;110(7):2484-9. doi: 10.1073/pnas.1211158110. Epub 2013 Jan 28.

22.

Sulfur as a selective 'soft' oxidant for catalytic methane conversion probed by experiment and theory.

Zhu Q, Wegener SL, Xie C, Uche O, Neurock M, Marks TJ.

Nat Chem. 2013 Feb;5(2):104-9. doi: 10.1038/nchem.1527. Epub 2012 Dec 16.

PMID:
23344430
23.

Localized partial oxidation of acetic acid at the dual perimeter sites of the Au/TiO2 catalyst-formation of gold ketenylidene.

Green IX, Tang W, Neurock M, Yates JT Jr.

J Am Chem Soc. 2012 Aug 22;134(33):13569-72. doi: 10.1021/ja305911e. Epub 2012 Aug 13.

PMID:
22871091
24.

Inhibition at perimeter sites of Au/TiO2 oxidation catalyst by reactant oxygen.

Green IX, Tang W, McEntee M, Neurock M, Yates JT Jr.

J Am Chem Soc. 2012 Aug 1;134(30):12717-23. doi: 10.1021/ja304426b. Epub 2012 Jul 17.

PMID:
22738199
25.

Formation of C-C and C-O bonds and oxygen removal in reactions of alkanediols, alkanols, and alkanals on copper catalysts.

Sad ME, Neurock M, Iglesia E.

J Am Chem Soc. 2011 Dec 21;133(50):20384-98. doi: 10.1021/ja207551f. Epub 2011 Nov 28.

PMID:
22023723
26.

Reactivity of chemisorbed oxygen atoms and their catalytic consequences during CH4-O2 catalysis on supported Pt clusters.

Chin YH, Buda C, Neurock M, Iglesia E.

J Am Chem Soc. 2011 Oct 12;133(40):15958-78. doi: 10.1021/ja202411v. Epub 2011 Sep 15.

PMID:
21919447
27.

Spectroscopic observation of dual catalytic sites during oxidation of CO on a Au/TiO₂ catalyst.

Green IX, Tang W, Neurock M, Yates JT Jr.

Science. 2011 Aug 5;333(6043):736-9. doi: 10.1126/science.1207272.

28.

Selective hydrogenolysis of polyols and cyclic ethers over bifunctional surface sites on rhodium-rhenium catalysts.

Chia M, Pagán-Torres YJ, Hibbitts D, Tan Q, Pham HN, Datye AK, Neurock M, Davis RJ, Dumesic JA.

J Am Chem Soc. 2011 Aug 17;133(32):12675-89. doi: 10.1021/ja2038358. Epub 2011 Jul 20.

PMID:
21736345
29.

Low-temperature catalytic H2 oxidation over Au nanoparticle/TiO2 dual perimeter sites.

Green IX, Tang W, Neurock M, Yates JT Jr.

Angew Chem Int Ed Engl. 2011 Oct 17;50(43):10186-9. doi: 10.1002/anie.201101612. Epub 2011 May 31. No abstract available.

PMID:
21630401
30.

Chemisorption of CO and mechanism of CO oxidation on supported platinum nanoclusters.

Allian AD, Takanabe K, Fujdala KL, Hao X, Truex TJ, Cai J, Buda C, Neurock M, Iglesia E.

J Am Chem Soc. 2011 Mar 30;133(12):4498-517. doi: 10.1021/ja110073u. Epub 2011 Mar 2. Erratum in: J Am Chem Soc. 2012 Jan 11;134(1):743.

PMID:
21366255
31.

Reactivity of the gold/water interface during selective oxidation catalysis.

Zope BN, Hibbitts DD, Neurock M, Davis RJ.

Science. 2010 Oct 1;330(6000):74-8. doi: 10.1126/science.1195055.

32.

Pt promotion and spill-over processes during deposition and desorption of upd-H(ad) and OH(ad) on Pt(x)Ru(1-x)/Ru(0001) surface alloys.

Hoster HE, Janik MJ, Neurock M, Behm RJ.

Phys Chem Chem Phys. 2010 Sep 21;12(35):10388-97. doi: 10.1039/c003635h. Epub 2010 Jul 1.

PMID:
20596565
33.

Synthesis and photophysical properties of stilbeneoctasilsesquioxanes. Emission behavior coupled with theoretical modeling studies suggest a 3-D excited state involving the silica core.

Laine RM, Sulaiman S, Brick C, Roll M, Tamaki R, Asuncion MZ, Neurock M, Filhol JS, Lee CY, Zhang J, Goodson T 3rd, Ronchi M, Pizzotti M, Rand SC, Li Y.

J Am Chem Soc. 2010 Mar 24;132(11):3708-22. doi: 10.1021/ja9087709.

PMID:
20187633
34.

Coverage effects on the palladium-catalyzed synthesis of vinyl acetate: comparison between theory and experiment.

Calaza F, Stacchiola D, Neurock M, Tysoe WT.

J Am Chem Soc. 2010 Feb 24;132(7):2202-7. doi: 10.1021/ja907061m.

PMID:
20121234
35.

Reactivity theory of transition-metal surfaces: a Brønsted-Evans-Polanyi linear activation energy-free-energy analysis.

van Santen RA, Neurock M, Shetty SG.

Chem Rev. 2010 Apr 14;110(4):2005-48. doi: 10.1021/cr9001808. No abstract available.

PMID:
20041655
36.
37.

Mechanistic consequences of composition in acid catalysis by polyoxometalate keggin clusters.

Macht J, Janik MJ, Neurock M, Iglesia E.

J Am Chem Soc. 2008 Aug 6;130(31):10369-79. doi: 10.1021/ja803114r. Epub 2008 Jul 10.

PMID:
18613662
38.

Structural requirements and reaction pathways in dimethyl ether combustion catalyzed by supported Pt clusters.

Ishikawa A, Neurock M, Iglesia E.

J Am Chem Soc. 2007 Oct 31;129(43):13201-12. Epub 2007 Oct 4.

PMID:
17915866
39.

Catalytic consequences of composition in polyoxometalate clusters with Keggin structure.

Macht J, Janik MJ, Neurock M, Iglesia E.

Angew Chem Int Ed Engl. 2007;46(41):7864-8. No abstract available.

PMID:
17828722
40.

Ab initio analysis of the structural properties of alkyl-substituted polyhedral oligomeric silsesquioxanes.

Li HC, Lee CY, McCabe C, Striolo A, Neurock M.

J Phys Chem A. 2007 May 10;111(18):3577-84. Epub 2007 Apr 19.

PMID:
17441697
41.

Calculated phase diagrams for the electrochemical oxidation and reduction of water over Pt(111).

Rossmeisl J, Nørskov JK, Taylor CD, Janik MJ, Neurock M.

J Phys Chem B. 2006 Nov 2;110(43):21833-9.

PMID:
17064147
42.

Adsorption and activation of CO over flat and stepped Co surfaces: a first principles analysis.

Ge Q, Neurock M.

J Phys Chem B. 2006 Aug 10;110(31):15368-80.

PMID:
16884257
43.
44.

Mechanisms of methanol decomposition on platinum: A combined experimental and ab initio approach.

Cao D, Lu GQ, Wieckowski A, Wasileski SA, Neurock M.

J Phys Chem B. 2005 Jun 16;109(23):11622-33.

PMID:
16852427
45.
46.

Ab initio reaction path analysis of benzene hydrogenation to cyclohexane on Pt(111).

Saeys M, Reyniers MF, Neurock M, Marin GB.

J Phys Chem B. 2005 Feb 17;109(6):2064-73.

PMID:
16851197
47.

A quantum chemical study of the decomposition of Keggin-structured heteropolyacids.

Janik MJ, Bardin BB, Davis RJ, Neurock M.

J Phys Chem B. 2006 Mar 9;110(9):4170-8.

PMID:
16509711
48.

Location, acid strength, and mobility of the acidic protons in Keggin 12-H3PW12O40: a combined solid-state NMR spectroscopy and DFT quantum chemical calculation study.

Yang J, Janik MJ, Ma D, Zheng A, Zhang M, Neurock M, Davis RJ, Ye C, Deng F.

J Am Chem Soc. 2005 Dec 28;127(51):18274-80.

PMID:
16366582
49.

Elucidation of the electrochemical activation of water over Pd by first principles.

Filhol JS, Neurock M.

Angew Chem Int Ed Engl. 2006 Jan 9;45(3):402-6. No abstract available.

PMID:
16307461
50.

Ab initio and microcalorimetric investigations of alkene adsorption on phosphotungstic acid.

Campbell KA, Janik MJ, Davis RJ, Neurock M.

Langmuir. 2005 May 10;21(10):4738-45.

PMID:
16032898

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