Surface Reactivity of the Vanadium Phosphate Catalyst for the Oxidation of Methane

go back to reference Horn R, Schlögl R (2015) Catal Lett 145:23–39CrossRef Horn R, Schlögl R (2015) Catal Lett 145:23–39CrossRef

go back to reference Aasberg-Petersen K, Dybkjær I, Ovesen CV, Schjødt NC, Sehested J, Thomsen SG (2011) J Nat Gas Sci Eng 3:423–459CrossRef Aasberg-Petersen K, Dybkjær I, Ovesen CV, Schjødt NC, Sehested J, Thomsen SG (2011) J Nat Gas Sci Eng 3:423–459CrossRef

go back to reference Rostrup-Nielsen JR, Sehested J, Nørskov JK (2002) Adv Catal 47:65–139 Rostrup-Nielsen JR, Sehested J, Nørskov JK (2002) Adv Catal 47:65–139

go back to reference Rozanska X, Sauer J (2008) Int J Quantum Chem 108:2223–2229CrossRef Rozanska X, Sauer J (2008) Int J Quantum Chem 108:2223–2229CrossRef

go back to reference Kwapien K, Paier J, Sauer J, Geske M, Zavyalova U, Horn R, Schwach P, Trunschke A, Schlögl R (2014) Angew Chem Int Ed 53:8774–8778CrossRef Kwapien K, Paier J, Sauer J, Geske M, Zavyalova U, Horn R, Schwach P, Trunschke A, Schlögl R (2014) Angew Chem Int Ed 53:8774–8778CrossRef

go back to reference Cooper CA, Hammond CR, Hutchings GJ, Taylor SH, Willock DJ, Tabata K (2001) Catal Today 71:3–10CrossRef Cooper CA, Hammond CR, Hutchings GJ, Taylor SH, Willock DJ, Tabata K (2001) Catal Today 71:3–10CrossRef

go back to reference Kumar G, Lau S, Krcha MD, Janik MJ (2016) ACS Catal 6:1812–1821CrossRef Kumar G, Lau S, Krcha MD, Janik MJ (2016) ACS Catal 6:1812–1821CrossRef

go back to reference Haber J, Witko M (2003) J Catal 216:416–424CrossRef Haber J, Witko M (2003) J Catal 216:416–424CrossRef

go back to reference Zavyalova U, Holena M, Schlögl R, Baerns M (2011) ChemCatChem 3:1935–1947CrossRef Zavyalova U, Holena M, Schlögl R, Baerns M (2011) ChemCatChem 3:1935–1947CrossRef

go back to reference Labinger JA (1988) Catal Lett 1:371–375CrossRef Labinger JA (1988) Catal Lett 1:371–375CrossRef

go back to reference Driscoll DJ, Martir W, Wang JX (1985) J Am Chem Soc 107:58–63CrossRef Driscoll DJ, Martir W, Wang JX (1985) J Am Chem Soc 107:58–63CrossRef

go back to reference Groothaert MH, Smeets PJ, Sels BF, Jacobs PA, Schoonheydt RA (2005) J Am Chem Soc 127:1394–1395CrossRef Groothaert MH, Smeets PJ, Sels BF, Jacobs PA, Schoonheydt RA (2005) J Am Chem Soc 127:1394–1395CrossRef

go back to reference McCormick RL, Alptekin GO, Herring AM, Ohno TR, Dec SF (1997) J Catal 172:160–169CrossRef McCormick RL, Alptekin GO, Herring AM, Ohno TR, Dec SF (1997) J Catal 172:160–169CrossRef

go back to reference Inumaru K, Okuhara T, Misono M (1992) Chem Lett 10:1955–1958CrossRef Inumaru K, Okuhara T, Misono M (1992) Chem Lett 10:1955–1958CrossRef

go back to reference Cavani F, Santi DD, Luciani S, Lofberg A, Bordes-Richard E, Cortelli C, Leanza R (2010) Appl Catal A 376:66–75CrossRef Cavani F, Santi DD, Luciani S, Lofberg A, Bordes-Richard E, Cortelli C, Leanza R (2010) Appl Catal A 376:66–75CrossRef

go back to reference Cavani F, Luciani S, Esposti ED, Cortelli C, Leanza R (2010) Chem Eur J 16:1646–1655CrossRef Cavani F, Luciani S, Esposti ED, Cortelli C, Leanza R (2010) Chem Eur J 16:1646–1655CrossRef

go back to reference Bluhm H, Hävecker M, Kleimenov E, Knop-Gericke A, Liskowski A, Schlögl R, Su DS (2003) Top Catal 23:99–107CrossRef Bluhm H, Hävecker M, Kleimenov E, Knop-Gericke A, Liskowski A, Schlögl R, Su DS (2003) Top Catal 23:99–107CrossRef

go back to reference Orio M, Pantazis DA, Neese F (2009) Photosynth Res 102:443–453CrossRef Orio M, Pantazis DA, Neese F (2009) Photosynth Res 102:443–453CrossRef

go back to reference Ziegler T, Autschbach J (2005) Chem Rev 105:2695–2722CrossRef Ziegler T, Autschbach J (2005) Chem Rev 105:2695–2722CrossRef

go back to reference Greeley J, Nørskov JK, Mavrikakis M (2002) Annu Rev Phys Chem 53:319–348CrossRef Greeley J, Nørskov JK, Mavrikakis M (2002) Annu Rev Phys Chem 53:319–348CrossRef

go back to reference Moskaleva L, Chiu C-C, Genest A, Rösch N (2016) Chem Rec. doi:10.1002/tcr.201600048 Moskaleva L, Chiu C-C, Genest A, Rösch N (2016) Chem Rec. doi:10.​1002/​tcr.​201600048

go back to reference Zanthoff HW, Sananes-Schultz M, Buchholz SA, Rodemerck U, Kubias B, Baerns M (1998) Appl Catal A 172:49–58CrossRef Zanthoff HW, Sananes-Schultz M, Buchholz SA, Rodemerck U, Kubias B, Baerns M (1998) Appl Catal A 172:49–58CrossRef

go back to reference Haras A, Witko M, Salahub DR, Duarte HA (2003) Surf Sci 538:160–170CrossRef Haras A, Witko M, Salahub DR, Duarte HA (2003) Surf Sci 538:160–170CrossRef

go back to reference Wang D, Barteau MA (2001) J Catal 197:17–25CrossRef Wang D, Barteau MA (2001) J Catal 197:17–25CrossRef

go back to reference Koyano G, Yamaguchi F, Okuhara T, Misono M (1996) Catal Lett 41:149–152CrossRef Koyano G, Yamaguchi F, Okuhara T, Misono M (1996) Catal Lett 41:149–152CrossRef

go back to reference Koyano G, Okuhara T, Misono M (1998) J Am Chem Soc 120:767–774CrossRef Koyano G, Okuhara T, Misono M (1998) J Am Chem Soc 120:767–774CrossRef

go back to reference Kresse G, Hafner J (1993) Phys Rev B 47:558–561CrossRef Kresse G, Hafner J (1993) Phys Rev B 47:558–561CrossRef

go back to reference Kresse G, Hafner J (1994) Phys Rev B 49:14251–14269CrossRef Kresse G, Hafner J (1994) Phys Rev B 49:14251–14269CrossRef

go back to reference Kresse G, Furthmüller J (1996) Comput Mat Sci 6:15–50CrossRef Kresse G, Furthmüller J (1996) Comput Mat Sci 6:15–50CrossRef

go back to reference Kresse G, Furthmüller J (1996) Phys Rev B 54:11169–11186CrossRef Kresse G, Furthmüller J (1996) Phys Rev B 54:11169–11186CrossRef

go back to reference Perdew JP, Burke K, Ernzerhof M (1996) Phys Rev Lett 77:3865–3868CrossRef Perdew JP, Burke K, Ernzerhof M (1996) Phys Rev Lett 77:3865–3868CrossRef

go back to reference Perdew JP, Burke K, Ernzerhof M (1997) Phys Rev Lett 78:1396CrossRef Perdew JP, Burke K, Ernzerhof M (1997) Phys Rev Lett 78:1396CrossRef

go back to reference Dudarev SL, Botton GA, Savrasov SY, Humphreys CJ, Sutton AP (1998) Phys Rev B 57:1505–1509CrossRef Dudarev SL, Botton GA, Savrasov SY, Humphreys CJ, Sutton AP (1998) Phys Rev B 57:1505–1509CrossRef

go back to reference Grimme S (2006) J Comput Chem 27:1787–1799CrossRef Grimme S (2006) J Comput Chem 27:1787–1799CrossRef

go back to reference Lutfalla S, Shapovalov V, Bell AT (2011) J Chem Theory Comput 7:2218–2223CrossRef Lutfalla S, Shapovalov V, Bell AT (2011) J Chem Theory Comput 7:2218–2223CrossRef

go back to reference Fu CL, Ho KM (1983) Phys Rev B 28:5480–5486CrossRef Fu CL, Ho KM (1983) Phys Rev B 28:5480–5486CrossRef

go back to reference Blöchl PE (1994) Phys Rev B 50:17953CrossRef Blöchl PE (1994) Phys Rev B 50:17953CrossRef

go back to reference Kresse G, Joubert D (1999) Phys Rev B 59:1758–1775CrossRef Kresse G, Joubert D (1999) Phys Rev B 59:1758–1775CrossRef

go back to reference Trifiro F, Grasselli RK (2014) Top Catal 57:1188–1195CrossRef Trifiro F, Grasselli RK (2014) Top Catal 57:1188–1195CrossRef

go back to reference McQuarrie DA, Simon JD (1999) Molecular thermodynamics. University Science Books, Sausalito, CA McQuarrie DA, Simon JD (1999) Molecular thermodynamics. University Science Books, Sausalito, CA

go back to reference Chang C-R, Zhao Z-J, Köhler K, Genest A, Li J, Rösch N (2012) Catal Sci Technol 2:2238–2248CrossRef Chang C-R, Zhao Z-J, Köhler K, Genest A, Li J, Rösch N (2012) Catal Sci Technol 2:2238–2248CrossRef

go back to reference Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Scalmani G, Barone V, Mennucci B, Petersson GA, Nakatsuji H, Caricato M, Li X, Hratchian HP, Izmaylov AF, Bloino J, Zheng G, Sonnenberg JL, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Vreven T, Montgomery JA Jr, Peralta JE, Ogliaro F, Bearpark MJ, Heyd J, Brothers EN, Kudin KN, Staroverov VN, Kobayashi R, Normand J, Raghavachari K, Rendell AP, Burant JC, Iyengar SS, Tomasi J, Cossi M, Rega N, Millam NJ, Klene M, Knox JE, Cross JB, Bakken V, Adamo C, Jaramillo J, Gomperts R, Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Martin RL, Morokuma K, Zakrzewski VG, Voth GA, Salvador P, Dannenberg JJ, Dapprich S, Daniels AD, Farkas Ö, Foresman JB, Ortiz JV, Cioslowski J, Fox DJ (2009) Gaussian 09, Gaussian, Inc., Wallingford Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Scalmani G, Barone V, Mennucci B, Petersson GA, Nakatsuji H, Caricato M, Li X, Hratchian HP, Izmaylov AF, Bloino J, Zheng G, Sonnenberg JL, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Vreven T, Montgomery JA Jr, Peralta JE, Ogliaro F, Bearpark MJ, Heyd J, Brothers EN, Kudin KN, Staroverov VN, Kobayashi R, Normand J, Raghavachari K, Rendell AP, Burant JC, Iyengar SS, Tomasi J, Cossi M, Rega N, Millam NJ, Klene M, Knox JE, Cross JB, Bakken V, Adamo C, Jaramillo J, Gomperts R, Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Martin RL, Morokuma K, Zakrzewski VG, Voth GA, Salvador P, Dannenberg JJ, Dapprich S, Daniels AD, Farkas Ö, Foresman JB, Ortiz JV, Cioslowski J, Fox DJ (2009) Gaussian 09, Gaussian, Inc., Wallingford

go back to reference Geupel S, Pilz K, Van Smaalen S, Bullesfeld F, Prokofiev A, Assmus W (2002) Acta Cryst C 58:i9–i13CrossRef Geupel S, Pilz K, Van Smaalen S, Bullesfeld F, Prokofiev A, Assmus W (2002) Acta Cryst C 58:i9–i13CrossRef

go back to reference Gautier R, Gautier R, Hernandez O, Audebrand N, Bataille T, Roiland C, Elkaïm E, Pollès L, Furet E, Fur E (2013) Dalton Trans 42:8124–8131CrossRef Gautier R, Gautier R, Hernandez O, Audebrand N, Bataille T, Roiland C, Elkaïm E, Pollès L, Furet E, Fur E (2013) Dalton Trans 42:8124–8131CrossRef

go back to reference Girgsdies F, Schneider M, Brückner A, Ressler T, Schlögl R (2009) Solid State Sci 11:1258–1264CrossRef Girgsdies F, Schneider M, Brückner A, Ressler T, Schlögl R (2009) Solid State Sci 11:1258–1264CrossRef

go back to reference Chiu C, Genest A, Borgna A, Rösch N (2014) ACS Catal 4:4178–4188CrossRef Chiu C, Genest A, Borgna A, Rösch N (2014) ACS Catal 4:4178–4188CrossRef

go back to reference Alexopoulos K, Reyniers M-F, Marin GB (2012) J Catal 289:127–139CrossRef Alexopoulos K, Reyniers M-F, Marin GB (2012) J Catal 289:127–139CrossRef

go back to reference Cheng M-J, Goddard WA (2013) J Am Chem Soc 135:4600–4603CrossRef Cheng M-J, Goddard WA (2013) J Am Chem Soc 135:4600–4603CrossRef

go back to reference Cheng M-J, Goddard WA, Fu R (2014) Top Catal 57:1171–1187CrossRef Cheng M-J, Goddard WA, Fu R (2014) Top Catal 57:1171–1187CrossRef

go back to reference Miyamoto K, Nitadori T, Mizuno N, Okuhara T, Misono M (1988) Chem Lett 17:303–306CrossRef Miyamoto K, Nitadori T, Mizuno N, Okuhara T, Misono M (1988) Chem Lett 17:303–306CrossRef

go back to reference Centi G, Fornasari G, Trifiro F (1984) J Catal 89:44–51CrossRef Centi G, Fornasari G, Trifiro F (1984) J Catal 89:44–51CrossRef

go back to reference Pepera MA, Callahan JL, Desmond MJ, Milberger EC, Blum PR, Bremer NJ (1985) J Am Chem Soc 107:4883–4892CrossRef Pepera MA, Callahan JL, Desmond MJ, Milberger EC, Blum PR, Bremer NJ (1985) J Am Chem Soc 107:4883–4892CrossRef

go back to reference Campbell CT, Sellers JRV (2012) J Am Chem Soc 134:18109–18115CrossRef Campbell CT, Sellers JRV (2012) J Am Chem Soc 134:18109–18115CrossRef

go back to reference Kozuch S, Shaik S (2008) J Phys Chem A 112:6032–6041CrossRef Kozuch S, Shaik S (2008) J Phys Chem A 112:6032–6041CrossRef

go back to reference Kozuch S, Shaik S (2006) J Am Chem Soc 128:3355–3365CrossRef Kozuch S, Shaik S (2006) J Am Chem Soc 128:3355–3365CrossRef

go back to reference Rozanska X, Fortrie R, Sauer J (2014) J Am Chem Soc 136:7751–7761CrossRef Rozanska X, Fortrie R, Sauer J (2014) J Am Chem Soc 136:7751–7761CrossRef

go back to reference Cheng M-J, Chenoweth K, Oxgaard J, van Duin A, Goddard WA (2007) J Phys Chem C 111:5115–5127CrossRef Cheng M-J, Chenoweth K, Oxgaard J, van Duin A, Goddard WA (2007) J Phys Chem C 111:5115–5127CrossRef

go back to reference Rozanska X, Sauer J (2009) J Phys Chem A 113:11586–11594CrossRef Rozanska X, Sauer J (2009) J Phys Chem A 113:11586–11594CrossRef

go back to reference Silversmit G, Depla D, Poelman H, Marin GB (2004) J Electron Spectrosc Relat Phenom 135:167–175CrossRef Silversmit G, Depla D, Poelman H, Marin GB (2004) J Electron Spectrosc Relat Phenom 135:167–175CrossRef

go back to reference Coulston GW, Thompson EA, Herron N (1996) J Catal 163:122–129CrossRef Coulston GW, Thompson EA, Herron N (1996) J Catal 163:122–129CrossRef

go back to reference Suchorski Y, Rihko-Struckmann L, Klose F, Ye Y, Alandjiyska M, Sundmacher K, Weiss H (2005) Appl Surf Sci 249:231–237CrossRef Suchorski Y, Rihko-Struckmann L, Klose F, Ye Y, Alandjiyska M, Sundmacher K, Weiss H (2005) Appl Surf Sci 249:231–237CrossRef

go back to reference Kleimenov E, Bluhm H, Hävecker M, Knop-Gericke A, Pestryakov A, Teschner D, Lopez-Sanchez JA, Bartley JK, Hutchings GJ, Schlögl R (2005) Surf Sci 575:181–188CrossRef Kleimenov E, Bluhm H, Hävecker M, Knop-Gericke A, Pestryakov A, Teschner D, Lopez-Sanchez JA, Bartley JK, Hutchings GJ, Schlögl R (2005) Surf Sci 575:181–188CrossRef

go back to reference Dummer NF, Bartley JK, Hutchings GJ (2011) Adv Catal 54:189–247 Dummer NF, Bartley JK, Hutchings GJ (2011) Adv Catal 54:189–247

go back to reference Bartley JK, Dummer NF, Hutchings GJ (2009) In: Jackson SD, Hargreaves JSJ (eds) Metal oxide catalysis. Wiley, Hoboken, pp 499–537 Bartley JK, Dummer NF, Hutchings GJ (2009) In: Jackson SD, Hargreaves JSJ (eds) Metal oxide catalysis. Wiley, Hoboken, pp 499–537

go back to reference Bordes-Richards E, Shekari A, Patience GS (2014) In: Duprez D, Cavani F (eds) Handbook of advanced methods and processes in oxidation catalysis, vol 1. Imperial College Press, London, pp 549–585CrossRef Bordes-Richards E, Shekari A, Patience GS (2014) In: Duprez D, Cavani F (eds) Handbook of advanced methods and processes in oxidation catalysis, vol 1. Imperial College Press, London, pp 549–585CrossRef

go back to reference Carreon MA, Guliants VV (2011) In: Hess C, Schlögl R (eds) Nanostructured catalysts: selective oxidation. Royal Society of Chemistry, Cambridge, pp 141–168CrossRef Carreon MA, Guliants VV (2011) In: Hess C, Schlögl R (eds) Nanostructured catalysts: selective oxidation. Royal Society of Chemistry, Cambridge, pp 141–168CrossRef

go back to reference Blanksby SJ, Ellison GB (2003) Acc Chem Res 36:255–263CrossRef Blanksby SJ, Ellison GB (2003) Acc Chem Res 36:255–263CrossRef