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

Network Covalent Solids02:18

Network Covalent Solids

16.6K
Network covalent solids contain a three-dimensional network of covalently bonded atoms as found in the crystal structures of nonmetals like diamond, graphite, silicon, and some covalent compounds, such as silicon dioxide (sand) and silicon carbide (carborundum, the abrasive on sandpaper). Many minerals have networks of covalent bonds.
To break or to melt a covalent network solid, covalent bonds must be broken. Because covalent bonds are relatively strong, covalent network solids are typically...
16.6K
Debye–Huckel–Onsager Conductance Equation01:28

Debye–Huckel–Onsager Conductance Equation

255
The Debye-Hückel-Onsager equation is a cornerstone of physical chemistry, providing a method to determine the molar conductance (Λm) and molar conductance at infinite dilution (Λ°m) for uni-univalent electrolytes.Uni-univalent electrolytes are electrolytes that dissociate in solution to produce one cation with a +1 charge and one anion with a –1 charge per formula unit.This equation addresses two crucial phenomena: the asymmetry effect and the electrophoretic effect.
255

You might also read

Related Articles

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

Sort by
Same author

Molecular design rules for wettability minimisation on grafted cellulose surfaces through human-machine teaming optimisation.

Journal of colloid and interface science·2026
Same author

Molecular basis of signal transduction in a cortisol-binding aptamer.

Physical chemistry chemical physics : PCCP·2026
Same author

Accelerating Neodymium's First-Shell Dynamics toward Improved Metal Recovery.

The journal of physical chemistry. B·2025
Same author

Organization of Resilin-like Peptides in Three Dimensions Using Au Nanoparticles.

Biomacromolecules·2025
Same author

Enhanced Interfacial Integrity for Chain Growth Polymer Carbon Fiber Composites via Surface-Initiated Polymerization.

ACS applied materials & interfaces·2025
Same author

Interactions of Neodymium(III) with Small-Molecule Ligands and Coronene Evaluated with DLPNO-CCSD(T).

The journal of physical chemistry. A·2025

Related Experiment Video

Updated: Apr 15, 2026

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
13:56

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

Published on: October 12, 2019

8.5K

Computational chemistry for graphene-based energy applications: progress and challenges.

Zak E Hughes1, Tiffany R Walsh

  • 1Institute for Frontier Materials, Deakin University, Geelong, VIC 3216, Australia. tiffany.walsh@deakin.edu.au zhughes@deakin.edu.au.

Nanoscale
|April 3, 2015
PubMed
Summary

Computational chemistry advances graphene energy materials by linking molecular interfaces to function. This research bridges experimental gaps, paving the way for efficient and durable graphene-based fuel cells, batteries, and more.

More Related Videos

Fabrication of Gate-tunable Graphene Devices for Scanning Tunneling Microscopy Studies with Coulomb Impurities
11:42

Fabrication of Gate-tunable Graphene Devices for Scanning Tunneling Microscopy Studies with Coulomb Impurities

Published on: July 24, 2015

16.3K
Development and Functionalization of Electrolyte-Gated Graphene Field-Effect Transistor for Biomarker Detection
07:51

Development and Functionalization of Electrolyte-Gated Graphene Field-Effect Transistor for Biomarker Detection

Published on: February 1, 2022

3.9K

Related Experiment Videos

Last Updated: Apr 15, 2026

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
13:56

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

Published on: October 12, 2019

8.5K
Fabrication of Gate-tunable Graphene Devices for Scanning Tunneling Microscopy Studies with Coulomb Impurities
11:42

Fabrication of Gate-tunable Graphene Devices for Scanning Tunneling Microscopy Studies with Coulomb Impurities

Published on: July 24, 2015

16.3K
Development and Functionalization of Electrolyte-Gated Graphene Field-Effect Transistor for Biomarker Detection
07:51

Development and Functionalization of Electrolyte-Gated Graphene Field-Effect Transistor for Biomarker Detection

Published on: February 1, 2022

3.9K

Area of Science:

  • Materials Science
  • Computational Chemistry
  • Energy Storage and Conversion

Background:

  • Graphene-based energy materials research is expanding rapidly.
  • Interfacial processes are critical in many graphene energy applications.
  • Understanding molecular-scale interfacial structure-function relationships is key to improving material performance.

Purpose of the Study:

  • To review the application of computational chemistry to graphene-based energy materials.
  • To highlight progress in using computational methods to study graphene interfaces.
  • To discuss future prospects and challenges in this field.

Main Methods:

  • Computational chemistry techniques
  • Molecular simulation methods
  • Review of recent literature

Main Results:

  • Computational chemistry provides crucial insights into graphene-based energy material interfaces.
  • Simulation bridges experimental limitations in resolving interfacial structure.
  • Progress has been made in applying these methods to fuel cells, batteries, photovoltaics, and supercapacitors.

Conclusions:

  • Computational chemistry is essential for designing advanced graphene energy materials.
  • Further development of computational techniques will accelerate innovation in graphene energy applications.
  • Addressing emerging challenges will be vital for future breakthroughs.