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

Catalysis02:50

Catalysis

29.1K
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.
29.1K
Nitriles to Amines: LiAlH4 Reduction00:55

Nitriles to Amines: LiAlH4 Reduction

4.2K
Nitriles are reduced to amines in the presence of strong reducing agents like lithium aluminum hydride through a typical nucleophilic acyl substitution. The reaction requires two equivalents of the reducing agent. The reducing agent acts as a source of hydride ions.
As shown below, the mechanism involves three steps. Firstly, the hydride ion acting as a nucleophile attacks the nitrile carbon to form an anion. In the second step, a second equivalent of the hydride ion attacks the anion to...
4.2K
Multi-Step Reactions02:31

Multi-Step Reactions

8.2K
Chemical reactions often occur in a stepwise fashion involving two or more distinct reactions taking place in a sequence. A balanced equation indicates the reacting species and the product species, but it reveals no details about how the reaction occurs at the molecular level. The reaction mechanism (or reaction path) provides details regarding the precise, step-by-step process by which a reaction occurs. Each of the steps in a reaction mechanism is called an elementary reaction. These...
8.2K
Reduction of Benzene to Cyclohexane: Catalytic Hydrogenation01:28

Reduction of Benzene to Cyclohexane: Catalytic Hydrogenation

5.3K
Unlike the easy catalytic hydrogenation of an alkene double bond, hydrogenation of a benzene double bond under similar reaction conditions does not take place easily. For example, in the reduction of stilbene, the benzene ring remains unaffected while the alkene bond gets reduced. Hydrogenation of an alkene double bond is exothermic and a favorable process. In contrast, to hydrogenate the first unsaturated bond of benzene, an energy input is needed; that is, the process is endothermic. This is...
5.3K
Reduction of Alkenes: Catalytic Hydrogenation02:13

Reduction of Alkenes: Catalytic Hydrogenation

13.3K
Alkenes undergo reduction by the addition of molecular hydrogen to give alkanes. Because the process generally occurs in the presence of a transition-metal catalyst, the reaction is called catalytic hydrogenation.
Metals like palladium, platinum, and nickel are commonly used in their solid forms — fine powder on an inert surface. As these catalysts remain insoluble in the reaction mixture, they are referred to as heterogeneous catalysts.
The hydrogenation process takes place on the...
13.3K
Reduction of Alkenes: Asymmetric Catalytic Hydrogenation02:17

Reduction of Alkenes: Asymmetric Catalytic Hydrogenation

3.7K
Catalytic hydrogenation of alkenes is a transition-metal catalyzed reduction of the double bond using molecular hydrogen to give alkanes. The mode of hydrogen addition follows syn stereochemistry.
The metal catalyst used can be either heterogeneous or homogeneous. When hydrogenation of an alkene generates a chiral center, a pair of enantiomeric products is expected to form. However, an enantiomeric excess of one of the products can be facilitated using an enantioselective reaction or an...
3.7K

You might also read

Related Articles

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

Sort by
Same author

Natural History and Influence on Long-term Outcomes of Isolated Type II Endoleak after Endovascular Aneurysm Repair: A 10-year Experience at a Single Center.

Reviews in cardiovascular medicine·2022
Same author

Late combination of transarterial chemoembolization with apatinib and camrelizumab for unresectable hepatocellular carcinoma is superior to early combination.

BMC cancer·2022
Same author

Reply to Editor.

Annals of diagnostic pathology·2022
Same author

Microbial transformations by sulfur bacteria can recover value from phosphogypsum: A global problem and a possible solution.

Biotechnology advances·2022
Same author

AAV-delivered suppressor tRNA overcomes a nonsense mutation in mice.

Nature·2022
Same author

Surface plasmon enhancement in different spatial distributions of nanowires and two-dimensional materials.

Physical chemistry chemical physics : PCCP·2022

Related Experiment Video

Updated: Nov 19, 2025

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

13.1K

Molecular dynamics study at N2/H2O-rGO interfaces for nitrogen reduction reaction.

Jianping Zeng1, Han Chen2, Chen Zhou2

  • 1School of Chemistry and Chemical Engineering, Yancheng Institute of Technology, Yancheng, 224051, China; Research School of Chemistry, The Australian National University, Canberra, Australian Capital Territory, 2601, Australia.

Journal of Molecular Graphics & Modelling
|February 1, 2021
PubMed
Summary

Researchers explored the interface dynamics of reduced graphene oxide (rGO) for synthetic ammonia production. Molecular dynamics simulations reveal how to tune functional groups on rGO to optimize nitrogen (N2) and water (H2O) adsorption for efficient catalysis.

Keywords:
Mmolecular dynamicsN(2)/H(2)O-rGO interfaceNitrogen reduction reaction(NRR)Reduced graphene oxide

More Related Videos

Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction
10:57

Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction

Published on: April 10, 2018

18.7K
Microscopic Visualization of Porous Nanographenes Synthesized through a Combination of Solution and On-Surface Chemistry
08:18

Microscopic Visualization of Porous Nanographenes Synthesized through a Combination of Solution and On-Surface Chemistry

Published on: March 4, 2021

2.0K

Related Experiment Videos

Last Updated: Nov 19, 2025

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

13.1K
Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction
10:57

Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction

Published on: April 10, 2018

18.7K
Microscopic Visualization of Porous Nanographenes Synthesized through a Combination of Solution and On-Surface Chemistry
08:18

Microscopic Visualization of Porous Nanographenes Synthesized through a Combination of Solution and On-Surface Chemistry

Published on: March 4, 2021

2.0K

Area of Science:

  • Materials Science
  • Catalysis
  • Computational Chemistry

Background:

  • Synthetic ammonia production via nitrogen reduction reaction (NRR) is crucial for sustainable agriculture and industry.
  • Reduced graphene oxide (rGO) is a promising catalyst for NRR due to its stability and tunable properties.
  • Understanding the interface dynamics between rGO and NRR precursors (N2, H2O) is essential for catalyst design.

Purpose of the Study:

  • To investigate the interaction dynamics at the rGO-N2/H2O interface.
  • To elucidate how functional groups on rGO influence the adsorption of N2 and H2O molecules.
  • To provide theoretical guidance for optimizing rGO-based catalysts for NRR.

Main Methods:

  • Construction of a hierarchical model for the rGO-N2/H2O interface.
  • Conducting molecular dynamics (MD) simulations at ambient conditions.
  • Analyzing the adsorption behavior and interaction mechanisms of N2 and H2O on rGO surfaces with varying functional groups.

Main Results:

  • A method was identified to tune functional groups for simultaneous maximization of N2 and H2O adsorption.
  • Water molecules preferentially form hydrogen bonds with oxygen-containing groups on rGO at close range.
  • Nitrogen molecules exhibit non-bonding interactions with carbon atoms in oxygen-depleted regions of rGO at remote distances.

Conclusions:

  • The study provides critical insights into the interfacial interactions governing NRR on rGO.
  • Tuning the surface chemistry of rGO is key to enhancing precursor adsorption and catalytic efficiency.
  • These findings offer a theoretical foundation for designing advanced rGO-based electrocatalysts for ammonia synthesis.