Formic Acid Dehydrogenation over Single Atom Pd-Deposited Carbon Nanocones for Hydrogen Production: Mechanistic DFT Study

2021 ◽  
Author(s):  
Nuttapon Yodsin ◽  
Siriporn Jungsuttiwong
Keyword(s):  
Hydrogen Production ◽  
Dft Calculations ◽  
Formic Acid ◽  
Dft Study ◽  
Single Atom ◽  
Carbon Nanocones ◽  
Formic Acid Dehydrogenation

A single Palladium (Pd) atom embedded in a high curvature defective carbon nanocone (Pd/dCNC) is investigated for formic acid (FA) decompositions using DFT calculations. We used Pd/dCNC as the catalyst...

Ni-N4 sites in a single-atom Ni catalyst on N-doped carbon for hydrogen production from formic acid

2021 ◽  
Vol 402 ◽  
pp. 264-274
Author(s):  
Dmitri A. Bulushev ◽  
Alina D. Nishchakova ◽  
Svetlana V. Trubina ◽  
Olga A. Stonkus ◽  
Igor P. Asanov ◽  
...  
Keyword(s):  
Hydrogen Production ◽  
Formic Acid ◽  
Single Atom ◽  
Ni Catalyst

scholarly journals Origin of the enhanced photocatalytic activity of (Ni, Se, and B) mono- and co-doped anatase TiO2 materials under visible light: a hybrid DFT study

RSC Advances ◽  
2020 ◽  
Vol 10 (70) ◽  
pp. 43092-43102
Author(s):  
Hanan H. Ibrahim ◽  
Adel A. Mohamed ◽  
Ismail A. M. Ibrahim
Keyword(s):  
Photocatalytic Activity ◽  
Hydrogen Production ◽  
Dft Calculations ◽  
Visible Light ◽  
Water Splitting ◽  
Anatase Tio2 ◽  
Dft Study ◽  
Co Doped

Hybrid DFT calculations demonstrate that Ni, Se4+ and Se2− mono-doped and Ni/Se4+ co-doped TiO2 are potential photocatalysts for water splitting and hydrogen production.

scholarly journals Investigation of Pd nanoparticles supported on zeolites for hydrogen production from formic acid dehydrogenation

2015 ◽  
Vol 5 (1) ◽  
pp. 364-371 ◽  
Author(s):  
M. Navlani-García ◽  
M. Martis ◽  
D. Lozano-Castelló ◽  
D. Cazorla-Amorós ◽  
K. Mori ◽  
...  
Keyword(s):  
Hydrogen Production ◽  
Formic Acid ◽  
Palladium Nanoparticles ◽  
Pd Nanoparticles ◽  
Beta Zeolites ◽  
Formic Acid Dehydrogenation

Palladium nanoparticles supported on different BETA zeolites are promising catalysts for H2production from formic acid dehydrogenation.

scholarly journals Hydrogen production from formic acid catalyzed by a phosphine free manganese complex: investigation and mechanistic insights

2020 ◽  
Vol 22 (3) ◽  
pp. 913-920 ◽  
Author(s):  
Alexander Léval ◽  
Anastasiya Agapova ◽  
Christoph Steinlechner ◽  
Elisabetta Alberico ◽  
Henrik Junge ◽  
...  
Keyword(s):  
Hydrogen Production ◽  
Hydrogen Storage ◽  
Formic Acid ◽  
Manganese Complex ◽  
Complex Investigation ◽  
Acid Catalyzed ◽  
Formic Acid Dehydrogenation

Formic acid dehydrogenation (FAD) is considered as a promising process in the context of hydrogen storage.

Pd–CNT–SiO2 nanoskein: composite structure design for formic acid dehydrogenation

2019 ◽  
Vol 55 (72) ◽  
pp. 10733-10736 ◽  
Author(s):  
Ana Sousa-Castillo ◽  
Feng Li ◽  
Enrique Carbó-Argibay ◽  
Miguel A. Correa-Duarte ◽  
Anna Klinkova
Keyword(s):  
Carbon Nanotube ◽  
Dft Calculations ◽  
Formic Acid ◽  
Experimental Evidence ◽  
Composite Structure ◽  
Structure Design ◽  
Dehydrogenation Reaction ◽  
Rate Determining Step ◽  
Formic Acid Dehydrogenation

Based on the experimental evidence and DFT calculations, a Pd–carbon nanotube interface facilitates the rate-determining step in the formic acid dehydrogenation reaction.

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