Periodic Density Functional Theory Study of Propane Oxidative Dehydrogenation over V2O5(001) Surface

Hui Fu; Zhi-Pan Liu; Zhen-Hua Li; Wen-Ning Wang; Kang-Nian Fan

doi:10.1021/ja0611745

Periodic Density Functional Theory Study of Propane Oxidative Dehydrogenation over V2O5(001) Surface

Journal of the American Chemical Society ◽

10.1021/ja0611745 ◽

2006 ◽

Vol 128 (34) ◽

pp. 11114-11123 ◽

Cited By ~ 105

Author(s):

Hui Fu ◽

Zhi-Pan Liu ◽

Zhen-Hua Li ◽

Wen-Ning Wang ◽

Kang-Nian Fan

Keyword(s):

Density Functional Theory ◽

Oxidative Dehydrogenation ◽

Density Functional ◽

Density Functional Theory Study ◽

Propane Oxidative Dehydrogenation ◽

Functional Theory

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Propane ammoxidation over Mo–V–Te–Nb–O M1 phase: Density functional theory study of propane oxidative dehydrogenation steps

Catalysis Today ◽

10.1016/j.cattod.2014.02.053 ◽

2014 ◽

Vol 238 ◽

pp. 28-34 ◽

Cited By ~ 13

Author(s):

Junjun Yu ◽

Ye Xu ◽

Vadim V. Guliants

Keyword(s):

Density Functional Theory ◽

Oxidative Dehydrogenation ◽

Density Functional ◽

Density Functional Theory Study ◽

M1 Phase ◽

Propane Ammoxidation ◽

Propane Oxidative Dehydrogenation ◽

Functional Theory ◽

Phase Density

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Activity and selectivity of propane oxidative dehydrogenation over VO 3 /CeO 2 (111) catalysts: A density functional theory study

Chinese Journal of Catalysis ◽

10.1016/s1872-2067(18)63072-4 ◽

2018 ◽

Vol 39 (9) ◽

pp. 1520-1526 ◽

Cited By ~ 8

Author(s):

Chang Huang ◽

Zhi-Qiang Wang ◽

Xue-Qing Gong

Keyword(s):

Density Functional Theory ◽

Oxidative Dehydrogenation ◽

Density Functional ◽

Density Functional Theory Study ◽

Propane Oxidative Dehydrogenation ◽

Functional Theory

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Density functional theory study of the oxidative dehydrogenation of propane on the (001) surface of V2 O5

International Journal of Quantum Chemistry ◽

10.1002/qua.22389 ◽

2009 ◽

Vol 110 (14) ◽

pp. 2653-2670 ◽

Cited By ~ 12

Author(s):

Ngoc Ha Nguyen ◽

Thanh Hue Tran ◽

Minh Tho Nguyen ◽

Minh Cam Le

Keyword(s):

Density Functional Theory ◽

Oxidative Dehydrogenation ◽

Density Functional ◽

Density Functional Theory Study ◽

Oxidative Dehydrogenation Of Propane ◽

Functional Theory

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Deep Oxidations in the Oxidative Dehydrogenation Reaction of Propane over V2O5(001): Periodic Density Functional Theory Study

The Journal of Physical Chemistry C ◽

10.1021/jp208639t ◽

2011 ◽

Vol 116 (1) ◽

pp. 807-817 ◽

Cited By ~ 33

Author(s):

Guo-Liang Dai ◽

Zhen-Hua Li ◽

Jing Lu ◽

Wen-Ning Wang ◽

Kang-Nian Fan

Keyword(s):

Density Functional Theory ◽

Oxidative Dehydrogenation ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dehydrogenation Reaction

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Oxidative Dehydrogenation of Ethane over V2O5(001): A Periodic Density Functional Theory Study

The Journal of Physical Chemistry C ◽

10.1021/jp075843s ◽

2008 ◽

Vol 112 (10) ◽

pp. 3719-3725 ◽

Cited By ~ 35

Author(s):

Guo-Liang Dai ◽

Zhi-Pan Liu ◽

Wen-Ning Wang ◽

Jing Lu ◽

Kang-Nian Fan

Keyword(s):

Density Functional Theory ◽

Oxidative Dehydrogenation ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Oxidative Dehydrogenation Of Ethane

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Periodic Density Functional Theory Study of the Oxidative Dehydrogenation of n-butane on the (001) Surface of V[sub 2]O[sub 5]

10.1063/1.3108387 ◽

2009 ◽

Author(s):

Nguye^̃n Ngọc Hà ◽

Tra^̀n Thành Hue^́ ◽

Nguye^́n Minh Thọ ◽

Dong-Qing Wei ◽

Xi-Jun Wang

Keyword(s):

Density Functional Theory ◽

Oxidative Dehydrogenation ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Methylene imino radical H2CN : matrix isolation ESR and density functional theory study

Molecular Physics ◽

10.1080/002689799165107 ◽

1999 ◽

Vol 96 (6) ◽

pp. 993-1000 ◽

Cited By ~ 2

Author(s):

PAUL H. KASAI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory

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A Density Functional Theory Study of 2-Chlorothiophene Adsorption on Rh(111) Surface

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.90513 ◽

2010 ◽

Vol 31 (1) ◽

pp. 49-55

Author(s):

Zhanhong CHEN ◽

Kaining DING ◽

Xianglan XU ◽

Junqian LI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Density Functional Theory Study on the Relationship between Polymerization Activity and Substituent Electronic Effect of Polyolefin Catalysts

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.00126 ◽

2010 ◽

Vol 31 (9) ◽

pp. 1127-1131

Author(s):

Huayi LI ◽

Liaoyun ZHANG ◽

Youliang HU

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Electronic Effect ◽

Density Functional Theory Study ◽

Functional Theory ◽

The Relationship

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Density Functional Theory Study of the Gas Phase and Surface Reaction Kinetics for the MOVPE Growth of GaAs1–yBiy

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.9b10399 ◽

2020 ◽

Vol 124 (9) ◽

pp. 1682-1697

Author(s):

Ryan C. Lucas ◽

Dane Morgan ◽

Thomas F. Kuech

Keyword(s):

Density Functional Theory ◽

Reaction Kinetics ◽

Gas Phase ◽

Density Functional ◽

Surface Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Movpe Growth ◽

Surface Reaction Kinetics

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