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.

Structure-sensitivity of formic acid dehydrogenation reaction over additive-free Pd NPs supported on activated carbon

2020 ◽  
pp. 127641
Author(s):  
José Luis Santos ◽  
Cristina Megías-Sayago ◽  
Svetlana Ivanova ◽  
Miguel Ángel Centeno ◽  
José Antonio Odriozola
Keyword(s):  
Activated Carbon ◽  
Formic Acid ◽  
Structure Sensitivity ◽  
Dehydrogenation Reaction ◽  
Formic Acid Dehydrogenation

scholarly journals Role of defects in carbon materials during metal-free formic acid dehydrogenation

Nanoscale ◽  
2020 ◽  
Vol 12 (44) ◽  
pp. 22768-22777
Author(s):  
Ilaria Barlocco ◽  
Sofia Capelli ◽  
Xiuyuan Lu ◽  
Simone Tumiati ◽  
Nikolaos Dimitratos ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Dft Calculations ◽  
Formic Acid ◽  
Active Sites ◽  
Density Functional ◽  
Carbon Materials ◽  
Functional Theory ◽  
Metal Free ◽  
Formic Acid Dehydrogenation

A combination of experiments and Density functional theory (DFT) calculations demonstrated that the single vacancies present on the graphitic layers are the only active sites for FA dehydrogenation.

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...

Pt-Pd Nanoalloy for the Unprecedented Activation of Carbon-Fluorine Bond at Low Temperature

2019 ◽  
Author(s):  
Raghu Nath Dhital ◽  
keigo nomura ◽  
Yoshinori Sato ◽  
Setsiri Haesuwannakij ◽  
Masahiro Ehara ◽  
...  
Keyword(s):  
Activation Energy ◽  
Low Temperature ◽  
Dft Calculations ◽  
Bond Activation ◽  
Mild Conditions ◽  
Selective Transformation ◽  
Rate Determining Step ◽  
Highly Active ◽  
Harsh Conditions ◽  
Reaction Profile

Carbon-Fluorine (C-F) bonds are considered the most inert organic functionality and their selective transformation under mild conditions remains challenging. Herein, we report a highly active Pt-Pd nanoalloy as a robust catalyst for the transformation of C-F bonds into C-H bonds at low temperature, a reaction that often required harsh conditions. The alloying of Pt with Pd is crucial to activate C-F bond. The reaction profile kinetics revealed that the major source of hydrogen in the defluorinated product is the alcoholic proton of 2-propanol, and the rate-determining step is the reduction of the metal upon transfer of the <i>beta</i>-H from 2-propanol. DFT calculations elucidated that the key step is the selective oxidative addition of the O-H bond of 2-propanol to a Pd center prior to C-F bond activation at a Pt site, which crucially reduces the activation energy of the C-F bond. Therefore, both Pt and Pd work independently but synergistically to promote the overall reaction

scholarly journals Additive-Free Formic Acid Dehydrogenation Catalyzed by a Cobalt Complex

2021 ◽  
Author(s):  
Nicolas Lentz ◽  
Alicia Aloisi ◽  
Pierre Thuéry ◽  
Emmanuel Nicolas ◽  
Thibault Cantat
Keyword(s):  
Formic Acid ◽  
Cobalt Complex ◽  
Formic Acid Dehydrogenation

Electrocatalytic activity of bimetallic PtPd on cerium oxide-modified carbon nanotube for oxidation of alcohol and formic acid

2021 ◽  
pp. 115445
Author(s):  
Suphitsara Maturost ◽  
Nathapong Pongpichayakul ◽  
Paralee Waenkaew ◽  
Napapha Promsawan ◽  
Suwaphid Themsirimongkon ◽  
...  
Keyword(s):  
Carbon Nanotube ◽  
Formic Acid ◽  
Cerium Oxide ◽  
Electrocatalytic Activity

CdS Nanorods Anchored with Crystalline FeP Nanoparticles for Efficient Photocatalytic Formic Acid Dehydrogenation

2021 ◽  
Author(s):  
Taotao Wang ◽  
Lechen Yang ◽  
Daochuan Jiang ◽  
Hongyun Cao ◽  
Antony Charles Minja ◽  
...  
Keyword(s):  
Formic Acid ◽  
Cds Nanorods ◽  
Formic Acid Dehydrogenation

scholarly journals Synthesis of palladium-rhodium bimetallic nanoparticles for formic acid dehydrogenation

2021 ◽  
Vol 52 ◽  
pp. 301-309
Author(s):  
Ilaria Barlocco ◽  
Sofia Capelli ◽  
Elisa Zanella ◽  
Xiaowei Chen ◽  
Juan J. Delgado ◽  
...  
Keyword(s):  
Formic Acid ◽  
Bimetallic Nanoparticles ◽  
Formic Acid Dehydrogenation
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