Density functional theory study of acetic acid steam reforming on Ni(111)

Applied Surface Science ◽

10.1016/j.apsusc.2016.12.148 ◽

2017 ◽

Vol 400 ◽

pp. 97-109 ◽

Cited By ~ 12

Author(s):

Yan-Xiong Ran ◽

Zhen-Yi Du ◽

Yun-Peng Guo ◽

Jie Feng ◽

Wen-Ying Li

Keyword(s):

Density Functional Theory ◽

Acetic Acid ◽

Steam Reforming ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Density Functional Theory Study of Decarboxylation and Decarbonylation of Acetic Acid on Pd(111)

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.0c00436 ◽

2020 ◽

Vol 124 (24) ◽

pp. 13082-13093 ◽

Cited By ~ 1

Author(s):

Kingsley C. Chukwu ◽

Líney Árnadóttir

Keyword(s):

Density Functional Theory ◽

Acetic Acid ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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The conversion of CO2 and CH4 to acetic acid over the Au-exchanged ZSM-5 catalyst: a density functional theory study

Physical Chemistry Chemical Physics ◽

10.1039/c2cp42066j ◽

2012 ◽

Vol 14 (48) ◽

pp. 16588 ◽

Cited By ~ 40

Author(s):

Wasinee Panjan ◽

Jakkapan Sirijaraensre ◽

Chompunuch Warakulwit ◽

Piboon Pantu ◽

Jumras Limtrakul

Keyword(s):

Density Functional Theory ◽

Acetic Acid ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Density Functional Theory Study on the Interactions Between Nin (n = 1,…, 6) and Methylamine or Acetic Acid

Journal of Nanoscience and Nanotechnology ◽

10.1166/jnn.2013.7174 ◽

2013 ◽

Vol 13 (6) ◽

pp. 4223-4227

Author(s):

Fadong Wei ◽

Wei Liu ◽

Gang Lv ◽

Hui Jiang ◽

Xuemei Wang

Keyword(s):

Density Functional Theory ◽

Acetic Acid ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Anodic Oxidation of Iodobenzene and Iodobenzoic Acids in Acetic Acid Environment ‐ Electrochemical Investigation and Density Functional Theory Study

ChemElectroChem ◽

10.1002/celc.202101040 ◽

2021 ◽

Author(s):

Tomas Bystron ◽

Balamurugan Devadas ◽

Karel Bouzek ◽

Jan Svoboda ◽

Viola Kolarikova ◽

...

Keyword(s):

Density Functional Theory ◽

Acetic Acid ◽

Anodic Oxidation ◽

Density Functional ◽

Electrochemical Investigation ◽

Density Functional Theory Study ◽

Functional Theory ◽

Acid Environment

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Density Functional Theory Study of the Direct Conversion of Methane to Acetic Acid by RhCl3

Organometallics ◽

10.1021/om030217c ◽

2003 ◽

Vol 22 (17) ◽

pp. 3513-3525 ◽

Cited By ~ 20

Author(s):

Iordan H. Hristov ◽

Tom Ziegler

Keyword(s):

Density Functional Theory ◽

Acetic Acid ◽

Density Functional ◽

Direct Conversion ◽

Density Functional Theory Study ◽

Functional Theory ◽

Conversion Of Methane

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A density functional theory study on adsorption and decomposition of acetic acid over silicon carbide nanotubes

Synthetic Metals ◽

10.1016/j.synthmet.2016.02.019 ◽

2016 ◽

Vol 215 ◽

pp. 164-169 ◽

Cited By ~ 6

Author(s):

Mehdi D. Esrafili ◽

Parisa Nematollahi ◽

Roghaye Nurazar

Keyword(s):

Density Functional Theory ◽

Silicon Carbide ◽

Acetic Acid ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Silicon Carbide Nanotubes

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Density Functional Theory Study of Methanol Steam Reforming on Co(0001) and Co(111) Surfaces

The Journal of Physical Chemistry C ◽

10.1021/jp503177h ◽

2014 ◽

Vol 118 (28) ◽

pp. 15274-15285 ◽

Cited By ~ 43

Author(s):

Wenjia Luo ◽

Aravind Asthagiri

Keyword(s):

Density Functional Theory ◽

Steam Reforming ◽

Density Functional ◽

Methanol Steam Reforming ◽

Density Functional Theory Study ◽

Functional Theory

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Density functional theory study of propane steam reforming on Rh–Ni bimetallic surface: Sulfur tolerance and scaling/Brønsted–Evans–Polanyi relations

Journal of Catalysis ◽

10.1016/j.jcat.2013.10.006 ◽

2014 ◽

Vol 309 ◽

pp. 248-259 ◽

Cited By ~ 19

Author(s):

Kyungtae Lee ◽

Eunmin Lee ◽

Chunshan Song ◽

Michael J. Janik

Keyword(s):

Density Functional Theory ◽

Steam Reforming ◽

Density Functional ◽

Density Functional Theory Study ◽

Sulfur Tolerance ◽

Functional Theory ◽

Bimetallic Surface

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Elucidating the field influence on the energetics of the methane steam reforming reaction: A density functional theory study

Applied Catalysis B Environmental ◽

10.1016/j.apcatb.2016.04.026 ◽

2016 ◽

Vol 195 ◽

pp. 77-89 ◽

Cited By ~ 25

Author(s):

Fanglin Che ◽

Su Ha ◽

Jean-Sabin McEwen

Keyword(s):

Density Functional Theory ◽

Steam Reforming ◽

Density Functional ◽

Methane Steam Reforming ◽

Density Functional Theory Study ◽

Functional Theory ◽

Methane Steam ◽

Field Influence

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Time-Dependent Density Functional Theory Study on Excited-State Hydrogen Bonding Dynamics of Acetic Acid Hydrates

Journal of Cluster Science ◽

10.1007/s10876-011-0421-3 ◽

2011 ◽

Vol 23 (1) ◽

pp. 155-164 ◽

Cited By ~ 4

Author(s):

Mingxian Ma ◽

Dapeng Yang

Keyword(s):

Density Functional Theory ◽

Hydrogen Bonding ◽

Acetic Acid ◽

Excited State ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Hydrogen Bonding Dynamics ◽

Dependent Density

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