Trends in the hydrodeoxygenation activity and selectivity of transition metal surfaces

Catalysis Letters

Volumn 144, Issue 11, 2014, Pages 1968-1972

  Lausche, Adam C ^a,b   Falsig, Hanne ^a,b   Jensen, Anker D ^c   Studt, Felix ^a,b  

^a SLAC NATIONAL ACCELERATOR LABORATORY   (United States)

^b Stanford University   (United States)

^c TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

Author keywords

Density functional calculations; Ethylene glycol; Heterogeneous catalysis; Scaling relations; Transition metals

Indexed keywords

CATALYSIS; ETHYLENE; ETHYLENE GLYCOL; METALS; POLYOLS; TRANSITION METALS;

CATALYTIC MATERIALS; COMMODITY CHEMICALS; HYDRODEOXYGENATION; HYDROTREATING; MICROKINETIC MODELLING; RENEWABLE MATERIALS; SCALING RELATIONS; TRANSITION METAL SURFACES;

DENSITY FUNCTIONAL THEORY;

EID: 84910111725     PISSN: 1011372X     EISSN: 1572879X     Source Type: Journal    
DOI: 10.1007/s10562-014-1352-z     Document Type: Article

References (42)

1. Werpy T, Petersen G, Aden A, Bozell J, Holladay J, White J, Manheim A, Eliot D, Lasure L, Jones S (2004) Department of Energy
2. Ragauskas AJ, Williams CK, Davison BH, Britovsek G, Cairney J, Eckert CA, Frederick WJ, Hallett JP, Leak DJ, Liotta CL, Mielenz JR, Murphy R, Templer R, Tschaplinski T (2006) Science 311:484-489
3. Rass-Hansen J, Falsig H, Jorgensen B, Christensen CH (2007) J Chem Technol Biotechnol 82:329-333
4. Alonso DM, Wettstein SG, Dumesic JA (2012) Chem Soc Rev 41:8075-8098
5. Guo N, Caratzoulas S, Doren DJ, Sandler SI, Vlachos DG (2012) Energy Environ Sci 5:6703-6716
6. Mpourmpakis G, Vlachos DG (2011) MRS Bull 36:211-215
7. Vlachos DG, Chen JG, Gorte RJ, Huber GW, Tsapatsis M (2010) Catal Lett 140:77-84
8. Salciccioli M, Yu W, Barteau MA, Chen JG, Vlachos DG (2011) J Am Chem Soc 133:7996-8004
9. Bridgwater AV, Meier D, Radlein D (1999) Org. Geochem. 30:1479-1493
10. Mortensen PM, Grunwaldt J-D, Jensen PA, Knudsen KG, Jensen AD (2011) Appl Catal A 407:1-19
11. Stottlemyer AL, Ren H, Chen JG (2009) Surf Sci 603:2630-2638
12. Huber GW, Iborra S, Corma A (2006) Chem Rev 106:4044-4098
13. Mortensen PM, Grunwaldt J-D, Jensen PA, Jensen AD (2013) ACS Catal 3:1774-1785
14. Lee CR, Yoon JS, Suh Y-W, Choi J-W, Ha J-M, Suh DJ, Park Y-K (2012) Catal Commun 17:54-58
15. Wei H, Gomez C, Liu J, Guo N, Wu T, Lobo-Lapidus R, Marshall CL, Miller JT, Meyer RJ (2013) J Catal 298:18-26
16. Bligaard T, Nørskov JK, Dahl S, Matthiesen J, Christensen CH, Sehested J (2004) J Catal 224:206-217
17. Abild-Pedersen F, Greeley J, Studt F, Rossmeisl J, Munter TR, Moses PG, Skúlason E, Bligaard T, Nørskov JK (2007) Phys Rev Lett 99:016105
18. Ferrin P, Nilekar AU, Greeley J, Mavrikakis M, Rossmeisl J (2008) Surf Sci 602:3424-3431
19. Jones G, Studt F, Abild-Pedersen F, Nørskov JK, Bligaard T (2011) Chem Eng Sci 66:6318-6323
20. Nørskov JK, Bligaard T, Logadottir A, Bahn S, Hansen LB, Bollinger M, Bengaard H, Hammer B, Sljivancanin Z, Mavrikakis M, Xu Y, Dahl S, Jacobsen CJH (2002) J Catal 209:275-278
21. Nørskov JK, Abild-Pedersen F, Studt F, Bligaard T (2011) Proc Natl Acad Sci USA 108:937-943
22. Michaelides A, Liu ZP, Zhang CJ, Alavi A, King DA, Hu P (2003) J Am Chem Soc 125:3704-3705
23. Pallassana V, Neurock M (2000) J Catal 191:301-317
24. Wang S, Petzold V, Tripkovic V, Kleis J, Howalt JG, Skúlason E, Fernández EM, Hvolbæk B, Jones G, Toftelund A, Falsig H, Björketun ME, Studt F, Abild-Pedersen F, Rossmeisl J, Nørskov JK, Bligaard T (2011) Phys Chem Chem Phys 13:20760-20765
25. Wang S, Temel B, Shen J, Jones G, Grabow LC, Studt F, Bligaard T, Abild-Pedersen F, Christensen CH, Nørskov JK (2011) Catal Lett 141:370-373
26. Mohr C, Hofmeister H, Claus P (2003) J Catal 213:86-94
27. Davda RR, Shabaker JW, Huber GW, Cortright RD, Dumesic JA (2005) Appl Catal B 56:171-186
28. Kandoi S, Greeley J, Simonetti D, Shabaker J, Dumesic JA, Mavrikakis M (2011) J Phys Chem C 115:961-971
29. Li N, Huber GW (2010) J. Catal. 270:48-59
30. Davda RR, Shabaker JW, Huber GW, Cortright RD, Dumesic JA (2003) Appl Catal B Env 43:13-26
31. Goodman DW (1990) Ultramicroscopy 34:1-9
32. Shabaker JW, Dumesic JA (2004) Ind Eng Chem Res 43:3105-3112
33. Foster AJ, Do PTM, Lobo RF (2012) Top Catal 55:118-128
34. Venderbosch RH, Ardiyanti AR, Wildschut J, Oasmaa A, Heeres HJ (2010) J Chem Technol Biotechnol 85:674-686
35. Yakovlev VA, Khromova SA, Sherstyuk OV, Dundich VO, Ermakov EY, Novopashina VM, Lebedev MY, Bulavchenko O, Parmon VN (2009) Catal Today 144:362-366
36. Ardiyanti AR, Khromova SA, Venderbosch RH, Yakovlev VA, Heeres HJ (2012) Appl Catal B 117-118:105-117
37. Benson SW (1968) Thermochemical kinetics: methods for estimation of thermochemical data and rate parameters. Wiley, New York
38. Giannozzi P, Baroni S, Bonini N, Calandra M, Car R, Cavazzoni C, Ceresoli D, Chiarotti GL, Cococcioni M, Dabo I, Dal Corso A, de Gironcoli S, Fabris S, Fratesi G, Gebauer R, Gerstmann U, Gougoussis C, Kokalj A, Lazzeri M, Martin-Samos L, Marzari N, Mauri F, Mazzarello R, Paolini S, Pasquarello A, Paulatto L, Sbraccia C, Scandolo S, Sclauzero G, Seitsonen AP, Smogunov A, Umari P, Wentzcovitch RM (2009) J Phys Condens Matter 21:395502
39. Wellendorff J, Lundgaard KT, Mogelhoj A, Petzold V, Landis DD, Norskov JK, Bligaard T, Jacobsen KW (2012) Phys Rev B 85:235149
40. Kresse G, Furthmuller J (1996) Comp Mater Sci 6:15-50
41. Monkhorst HJ, Pack JD (1976) Phys Rev B 13:5188
42. Johansson F (2010) 0.14 ed. http://code.google.com/p/mpmath/