Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

Heterogeneous Catalysis01:22

Heterogeneous Catalysis

136
Heterogeneous catalysis involves a catalyst in a different phase from the reactants. It is a process where the catalyst and the reactants are in distinct phases, typically solid and gas or liquid.Most heterogeneous catalysts are metals, metal oxides, or acids. The list includes transition metals like iron (Fe), cobalt (Co), nickel (Ni), palladium (Pd), platinum (Pt), chromium (Cr), manganese (Mn), tungsten (W), silver (Ag), and copper (Cu). These metals possess partially vacant d orbitals that...
136
Introduction to Mechanisms of Enzyme Catalysis01:13

Introduction to Mechanisms of Enzyme Catalysis

7.8K
7.8K
Introduction to Mechanisms of Enzyme Catalysis01:13

Introduction to Mechanisms of Enzyme Catalysis

9.0K
For many years, scientists thought that enzyme-substrate binding took place in a simple "lock-and-key" fashion. This model stated that the enzyme and substrate fit together perfectly in one instantaneous step. However, current research supports a more refined view scientists call induced fit. The induced-fit model expands upon the lock-and-key model by describing a more dynamic interaction between enzyme and substrate. As the enzyme and substrate come together, their interaction causes...
9.0K
Catalysis02:50

Catalysis

22.8K
The presence of a catalyst affects the rate of a chemical reaction. A catalyst is a substance that can increase the reaction rate without being consumed during the process. A basic comprehension of a catalysts’ role during chemical reactions can be understood from the concept of reaction mechanisms and energy diagrams.
22.8K
Coupled Reactions01:17

Coupled Reactions

7.7K
Cellular processes such as building and breaking down complex molecules occur through stepwise chemical reactions. Some of these chemical reactions are spontaneous and release energy, whereas others require energy to proceed. Cells often couple the energy-releasing reaction with the energy-requiring one to carry out important cell functions. 
Energy in adenosine triphosphate or ATP molecules is easily accessible to do work. ATP powers the majority of energy-requiring cellular reactions....
7.7K
Catalytically Perfect Enzymes01:07

Catalytically Perfect Enzymes

4.3K
The theory of catalytically perfect enzymes was first proposed by W.J. Albery and J. R. Knowles in 1976. These enzymes catalyze biochemical reactions at high-speed. Their catalytic efficiency values range from 108-109 M-1s-1. These enzymes are also called 'diffusion-controlled' as the only rate-limiting step in the catalysis is that of the substrate diffusion into the active site. Examples include triose phosphate isomerase, fumarase, and superoxide dismutase.
 
Most enzymes...
4.3K

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Tailoring Zn<sub>2</sub>SnO<sub>4</sub>inverse spinel via Co doping: enhanced two-electron water oxidation for efficient H<sub>2</sub>O<sub>2</sub>electrosynthesis.

Nanotechnology·2026
Same author

Graphene Stable Dispersion Driven by Noncovalent Functionalization and Graphene Fibers Preparation.

Langmuir : the ACS journal of surfaces and colloids·2026
Same author

Selective Electrosynthesis of Ethanol from CO<sub>2</sub> Enabled by High Cu<sup>I</sup> Content and Enhanced H<sub>2</sub>O Activation of Molecularly Modified Cu-Based Catalyst.

Journal of the American Chemical Society·2026
Same author

CO<sub>2</sub>-assisted two-step pyrolysis fabrication of hierarchical porous Ni/ZrO<sub>2</sub> catalyst for low-temperature dry reforming of methane.

Journal of environmental sciences (China)·2026
Same author

Salvia miltiorrhiza extract attenuates cardiorenal syndrome by inhibiting IL-1β mediated cross-talk between heart and kidney.

Phytomedicine : international journal of phytotherapy and phytopharmacology·2026
Same author

Alkali-Free Synthesis of Formic Acid from CO<sub>2</sub> Hydrogenation on a Pd/CoAlO<sub><i>x</i></sub> Catalyst Rich in Intimate Pd<sup>0</sup>-CoO-AlO<sub><i>x</i></sub> Ensembles.

Journal of the American Chemical Society·2026

Related Experiment Video

Updated: Apr 26, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

14.1K

Choosing a proper exchange-correlation functional for the computational catalysis on surface.

Bo-Tao Teng1, Xiao-Dong Wen, Maohong Fan

  • 1College of Chemistry and Life Sciences, Zhejiang Normal University, Jinhua 321004, China. tbt@zjnu.cn.

Physical Chemistry Chemical Physics : PCCP
|July 30, 2014
PubMed
Summary

Choosing the right density functional approximation is key for accurate theoretical calculations. This study found the RPBE functional superior for Fischer-Tropsch synthesis and CO adsorption on cobalt surfaces, guiding computational catalysis.

More Related Videos

Imine Metathesis by Silica-Supported Catalysts Using the Methodology of Surface Organometallic Chemistry
09:37

Imine Metathesis by Silica-Supported Catalysts Using the Methodology of Surface Organometallic Chemistry

Published on: October 18, 2019

10.0K
Mizoroki-Heck Cross-coupling Reactions Catalyzed by Dichloro{bis[1,1',1''-phosphinetriyltripiperidine]}palladium Under Mild Reaction Conditions
11:44

Mizoroki-Heck Cross-coupling Reactions Catalyzed by Dichloro{bis[1,1',1''-phosphinetriyltripiperidine]}palladium Under Mild Reaction Conditions

Published on: March 20, 2014

25.9K

Related Experiment Videos

Last Updated: Apr 26, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

14.1K
Imine Metathesis by Silica-Supported Catalysts Using the Methodology of Surface Organometallic Chemistry
09:37

Imine Metathesis by Silica-Supported Catalysts Using the Methodology of Surface Organometallic Chemistry

Published on: October 18, 2019

10.0K
Mizoroki-Heck Cross-coupling Reactions Catalyzed by Dichloro{bis[1,1',1''-phosphinetriyltripiperidine]}palladium Under Mild Reaction Conditions
11:44

Mizoroki-Heck Cross-coupling Reactions Catalyzed by Dichloro{bis[1,1',1''-phosphinetriyltripiperidine]}palladium Under Mild Reaction Conditions

Published on: March 20, 2014

25.9K

Area of Science:

  • Computational Chemistry
  • Materials Science
  • Catalysis

Background:

  • Accurate theoretical calculations rely on selecting appropriate density functional approximations for electronic exchange-correlation energy.
  • Diverse functionals exist, necessitating systematic comparison for specific chemical systems and reactions.

Purpose of the Study:

  • To propose and validate a method for selecting reliable exchange-correlation functionals.
  • To systematically compare the performance of PW91, PBE, and RPBE functionals for Fischer-Tropsch synthesis.
  • To evaluate functionals based on CO adsorption on cobalt surfaces as a benchmark.

Main Methods:

  • Proposed an approach comparing calculated ΔE0 with experimental reference data for gas-phase reactions.
  • Systematically compared PW91, PBE, and RPBE functionals using Fischer-Tropsch synthesis reactions.
  • Assessed geometrical and electronic properties of model catalysts and CO adsorption behavior on Co(0001).

Main Results:

  • The RPBE functional demonstrated superior performance compared to PW91 and PBE for gas-phase Fischer-Tropsch synthesis.
  • RPBE also showed better accuracy in describing CO adsorption behavior on the Co(0001) surface.
  • The study identified RPBE as a more reliable functional for computational catalysis involving cobalt surfaces.

Conclusions:

  • The proposed ΔE0 criterion, combined with adsorption studies, effectively screens density functionals.
  • RPBE is recommended over PW91 and PBE for modeling Fischer-Tropsch synthesis and CO adsorption on cobalt.
  • This work provides general guidance for selecting appropriate exchange-correlation functionals in surface computational catalysis.