Reexamination of formic acid decomposition on the Pt(111) surface both in the absence and in the presence of water, from periodic DFT calculations

Yuanyuan Qi; Jingjing Li; Dongju Zhang; Chengbu Liu

doi:10.1039/c5cy00159e

Reexamination of formic acid decomposition on the Pt(111) surface both in the absence and in the presence of water, from periodic DFT calculations

Catalysis Science & Technology ◽

10.1039/c5cy00159e ◽

2015 ◽

Vol 5 (6) ◽

pp. 3322-3332 ◽

Cited By ~ 9

Author(s):

Yuanyuan Qi ◽

Jingjing Li ◽

Dongju Zhang ◽

Chengbu Liu

Keyword(s):

Dft Calculations ◽

Formic Acid ◽

Co Poisoning ◽

Acid Decomposition ◽

Formic Acid Decomposition ◽

Periodic Dft Calculations ◽

Periodic Dft

The calculated results in literatures for the decomposition of formic acid on Pt(111) into CO cannot rationalize the well-known easy CO poisoning of Pt-based catalysts.

Download Full-text

Formic acid decomposition on Pt1/Cu (111) single platinum atom catalyst: Insights from DFT calculations and energetic span model analysis

Applied Surface Science ◽

10.1016/j.apsusc.2017.12.008 ◽

2018 ◽

Vol 436 ◽

pp. 631-638 ◽

Cited By ~ 9

Author(s):

Ying-Fan Wang ◽

Kun Li ◽

Gui-Chang Wang

Keyword(s):

Dft Calculations ◽

Formic Acid ◽

Model Analysis ◽

Platinum Atom ◽

Acid Decomposition ◽

Formic Acid Decomposition

Download Full-text

Formic Acid Oxidation at Pt/H2O Interface from Periodic DFT Calculations Integrated with a Continuum Solvation Model

The Journal of Physical Chemistry C ◽

10.1021/jp9059888 ◽

2009 ◽

Vol 113 (40) ◽

pp. 17502-17508 ◽

Cited By ~ 186

Author(s):

Hui-Fang Wang ◽

Zhi-Pan Liu

Keyword(s):

Dft Calculations ◽

Formic Acid ◽

Formic Acid Oxidation ◽

Acid Oxidation ◽

Continuum Solvation ◽

Solvation Model ◽

Continuum Solvation Model ◽

Periodic Dft Calculations ◽

Periodic Dft

Download Full-text

Molecular Mechanism of the Formic Acid Decomposition on V2O5/TiO2 Catalysts: A Periodic DFT Analysis

The Journal of Physical Chemistry C ◽

10.1021/jp204652n ◽

2011 ◽

Vol 115 (44) ◽

pp. 21755-21762 ◽

Cited By ~ 16

Author(s):

Vasilii I. Avdeev ◽

Valentin N. Parmon

Keyword(s):

Formic Acid ◽

Molecular Mechanism ◽

Acid Decomposition ◽

Formic Acid Decomposition ◽

Periodic Dft

Download Full-text

Strategic examination of the classical catalysis of formic acid decomposition for intermittent hydrogen production, storage and supply: A review

Sustainable Energy Technologies and Assessments ◽

10.1016/j.seta.2021.101078 ◽

2021 ◽

Vol 45 ◽

pp. 101078

Author(s):

Samuel Eshorame Sanni ◽

Peter Adeniyi Alaba ◽

Emeka Okoro ◽

Moses Emetere ◽

Babalola Oni ◽

...

Keyword(s):

Hydrogen Production ◽

Formic Acid ◽

Acid Decomposition ◽

Formic Acid Decomposition

Download Full-text

UV-A light-assisted gas-phase formic acid decomposition on photo-thermo Ru/TiO2 catalyst

Catalysis Today ◽

10.1016/j.cattod.2021.03.020 ◽

2021 ◽

Author(s):

Javier Ivanez ◽

Patricia Garcia-Munoz ◽

Agnieszka M. Ruppert ◽

Nicolas Keller

Keyword(s):

Formic Acid ◽

Gas Phase ◽

Acid Decomposition ◽

Tio2 Catalyst ◽

Formic Acid Decomposition

Download Full-text

Disclosing the role of Gold on Palladium ‐ Gold alloyed supported catalysts in formic acid decomposition

ChemCatChem ◽

10.1002/cctc.202100886 ◽

2021 ◽

Author(s):

Alberto Villa ◽

Ilaria Barlocco ◽

Sofia Capelli ◽

Xiuyuan Lu ◽

Silvio Bellomi ◽

...

Keyword(s):

Formic Acid ◽

Supported Catalysts ◽

Acid Decomposition ◽

Formic Acid Decomposition

Download Full-text

Catalytic reactions on a metal oxide single crystal: switchover of the reaction paths in formic acid decomposition on titanium dioxide TiO2(110)

Journal of the American Chemical Society ◽

10.1021/ja00075a112 ◽

1993 ◽

Vol 115 (22) ◽

pp. 10460-10461 ◽

Cited By ~ 39

Author(s):

Hiroshi Onishi ◽

Tetsuya Aruga ◽

Yasuhiro Iwasawa

Keyword(s):

Titanium Dioxide ◽

Metal Oxide ◽

Formic Acid ◽

Single Crystal ◽

Catalytic Reactions ◽

Reaction Paths ◽

Acid Decomposition ◽

Formic Acid Decomposition

Download Full-text

Promotion of Ammonium Formate and Formic Acid Decomposition over Au/TiO2 by Support Basicity under SCR-Relevant Conditions

ACS Catalysis ◽

10.1021/acscatal.5b01057 ◽

2015 ◽

Vol 5 (8) ◽

pp. 4772-4782 ◽

Cited By ~ 10

Author(s):

Manasa Sridhar ◽

Davide Ferri ◽

Martin Elsener ◽

Jeroen Anton van Bokhoven ◽

Oliver Kröcher

Keyword(s):

Formic Acid ◽

Ammonium Formate ◽

Acid Decomposition ◽

Formic Acid Decomposition

Download Full-text

Mesoporous Silica Supported Pd-MnOx Catalysts with Excellent Catalytic Activity in Room-Temperature Formic Acid Decomposition

Scientific Reports ◽

10.1038/srep33502 ◽

2016 ◽

Vol 6 (1) ◽

Cited By ~ 22

Author(s):

Min-Ho Jin ◽

Duckkyu Oh ◽

Ju-Hyoung Park ◽

Chun-Boo Lee ◽

Sung-Wook Lee ◽

...

Keyword(s):

Catalytic Activity ◽

Mesoporous Silica ◽

Formic Acid ◽

Room Temperature ◽

Acid Decomposition ◽

Formic Acid Decomposition ◽

Supported Pd

Download Full-text

Enhancing the Feasibility of Pd/C-catalyzed Formic Acid Decomposition for Hydrogen Generation – Catalyst Pretreatment, Deactivation, and Regeneration

Catalysis Science & Technology ◽

10.1039/d1cy00300c ◽

2021 ◽

Author(s):

Axel Kosider ◽

Dominik Blaumeiser ◽

Simon Schoetz ◽

Patrick Preuster ◽

Andreas Bösmann ◽

...

Keyword(s):

Formic Acid ◽

Low Temperatures ◽

Hydrogen Generation ◽

Side Reactions ◽

Acid Decomposition ◽

Catalyst Pretreatment ◽

Formic Acid Decomposition ◽

Catalyst Systems

Formic acid decomposition (FAD) generates H2 at low temperatures. However, many known catalyst systems suffer from deactivation due to competing side reactions during FAD. In this work, we focus on...

Download Full-text