Lewis Acido-Basic Interactions between CO2 and MgO Surface: DFT and DRIFT Approaches
作者： Damien Cornu , Hazar Guesmi , Jean-Marc Krafft , Hélène Lauron-Pernot
DOI: 10.1021/JP211171T
关键词:
摘要: … by different amounts of CO 2 . In addition, we have attempted to specify adsorbed CO 2 species by the ab initio DFT method. The theoretical investigation of CO 2 interactions with the …
acs.org
archives-ouvertes.fr
sci-hub.se 
hal.science 参考文章(48)
Hideshi Hattori, 固体塩基触媒: 塩基点の発現, キャラクタリゼーションおよび触媒作用 Journal of The Japan Petroleum Institute. ,vol. 47, pp. 67- 81 ,(2004) , 10.1627/JPI.47.67
Infra-Red Study of Surface Carbonation on Polycrystalline Magnesium Hydroxide Bulletin of The Korean Chemical Society. ,vol. 30, pp. 2567- 2573 ,(2009) , 10.5012/BKCS.2009.30.11.2567
G. Busca, V. Lorenzelli, Infrared spectroscopic identification of species arising from reactive adsorption of carbon oxides on metal oxide surfaces Materials Chemistry. ,vol. 7, pp. 89- 126 ,(1982) , 10.1016/0390-6035(82)90059-1
P. E. Blöchl, Projector augmented-wave method Physical Review B. ,vol. 50, pp. 17953- 17979 ,(1994) , 10.1103/PHYSREVB.50.17953
Jiraporn Puriwat, Wasu Chaitree, Kongkiat Suriye, Siraprapa Dokjampa, Piyasan Praserthdam, Joongjai Panpranot, Elucidation of the basicity dependence of 1-butene isomerization on MgO/Mg(OH)2 catalysts Catalysis Communications. ,vol. 12, pp. 80- 85 ,(2010) , 10.1016/J.CATCOM.2010.08.015
G. A. H. Mekhemer, S. A. Halawy, M. A. Mohamed, M. I. Zaki, Qualitative and Quantitative Assessments of Acid and Base Sites Exposed on Polycrystalline MgO Surfaces: Thermogravimetric, Calorimetric, and in-Situ FTIR Spectroscopic Study Combination Journal of Physical Chemistry B. ,vol. 108, pp. 13379- 13386 ,(2004) , 10.1021/JP040164S
Yasuo Fukuda, Kozo Tanabe, Infrared Study of Carbon Dioxide Adsorbed on Magnesium and Calcium Oxides Bulletin of the Chemical Society of Japan. ,vol. 46, pp. 1616- 1619 ,(1973) , 10.1246/BCSJ.46.1616
Jing Fan, Masako Yudasaka, Jin Miyawaki, Kumiko Ajima, Katsuyuki Murata, Sumio Iijima, Control of hole opening in single-wall carbon nanotubes and single-wall carbon nanohorns using oxygen. Journal of Physical Chemistry B. ,vol. 110, pp. 1587- 1591 ,(2006) , 10.1021/JP0538870
Morten B. Jensen, Lars G. M. Pettersson, Ole Swang, Unni Olsbye, CO2 sorption on MgO and CaO surfaces: a comparative quantum chemical cluster study. Journal of Physical Chemistry B. ,vol. 109, pp. 16774- 16781 ,(2005) , 10.1021/JP052037H
Hugo Petitjean, Konstantin Tarasov, Françoise Delbecq, Philippe Sautet, Jean Marc Krafft, Philippe Bazin, Maria Cristina Paganini, Elio Giamello, Michel Che, Hélène Lauron-Pernot, Guylène Costentin, Quantitative Investigation of MgO Bronsted Basicity: DFT, IR, and Calorimetry Study of Methanol Adsorption Journal of Physical Chemistry C. ,vol. 114, pp. 3008- 3016 ,(2010) , 10.1021/JP909354P