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

Oxidation Numbers03:14

Oxidation Numbers

42.2K
In redox reactions, the transfer of electrons occurs between reacting species. Electron transfer is described by a hypothetical number called the oxidation number (or oxidation state). It represents the effective charge of an atom or element, which is assigned using a set of rules.
42.2K
Redox Reactions01:24

Redox Reactions

58.3K
Oxidation-reduction or redox reactions involve the transfer of electrons from one molecule or atom to another. When an atom gains an electron, another atom must lose an electron, meaning oxidation and reduction must occur together. Since the redox occurs in pairs, the atom that gets oxidized is also called the reducing agent or reductant, and the atom that is reduced is also called the oxidizing agent or oxidant. A straightforward way to remember the definitions of oxidation and reduction is...
58.3K
Redox Reactions01:27

Redox Reactions

904
Redox reactions are vital biochemical processes that underpin energy metabolism in cells. These reactions involve the transfer of electrons between molecules, occurring in tandem as oxidation and reduction. Oxidation refers to the loss of electrons, while reduction denotes their gain. This coupling ensures the seamless flow of electrons through metabolic pathways. For example, in bacterial metabolism, glucose undergoes oxidation to carbon dioxide, while oxygen is simultaneously reduced to...
904
Properties of Transition Metals02:58

Properties of Transition Metals

29.6K
Transition metals are defined as those elements that have partially filled d orbitals. As shown in Figure 1, the d-block elements in groups 3–12 are transition elements. The f-block elements, also called inner transition metals (the lanthanides and actinides), also meet this criterion because the d orbital is partially occupied before the f orbitals.
29.6K
Ladder Diagrams: Redox Equilibria01:30

Ladder Diagrams: Redox Equilibria

768
Ladder diagrams are useful tools for understanding redox equilibrium reactions, especially the effects of concentration changes on the electrochemical potential of the reaction. The vertical axis in the redox ladder diagrams represents the electrochemical potential, E. The area of predominance is demarcated using the Nernst equation.
Consider the Fe3+/Fe2+ half-reaction, which has a standard-state potential of +0.771 V. At potentials more positive than +0.771 V, Fe3+ predominates, whereas Fe2+...
768
Balancing Redox Equations02:58

Balancing Redox Equations

61.6K
Electrochemistry is the science involved in the interconversion of electrical and chemical reactions. Such reactions are called reduction-oxidation, or redox reactions. These important reactions are defined by changes in oxidation states for one or more reactant elements and include a subset of reactions involving the transfer of electrons between reactant species. Electrochemistry as a field has evolved to yield sufficient insights on the fundamental principles of redox chemistry and multiple...
61.6K

You might also read

Related Articles

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

Sort by
Same author

Self-adhesive high-entropy oxide sub-nanowire monolithic electrocatalysts.

Nature nanotechnology·2026
Same author

Efficient Self-Driven Adipic Acid Production with Bioelectricity Generation.

JACS Au·2026
Same author

Potential-Driven Evolution of Coordination and Oxidation State in Cu-N-C Delivers Efficient and Selective Acetylene Semihydrogenation.

Journal of the American Chemical Society·2026
Same author

Revealing the impact of microenvironment on gold-catalysed CO<sub>2</sub> electroreduction via Marcus-Hush-Chidsey kinetics.

Nature chemistry·2025
Same author

Electrochemical potential-driven water dynamics control CO<sub>2</sub> electroreduction at the Ag/H<sub>2</sub>O interface.

Nature communications·2025
Same author

Electrochromic Rutile with Dynamically Tailored Surfaces in Formaldehyde-Mediated Hydroxylamine Electrosynthesis.

Journal of the American Chemical Society·2025

Related Experiment Video

Updated: Jan 16, 2026

Author Spotlight: Magnetometric Characterization of Intermediates in the Solid-State Electrochemistry of Redox-Active Metal-Organic Frameworks
06:53

Author Spotlight: Magnetometric Characterization of Intermediates in the Solid-State Electrochemistry of Redox-Active Metal-Organic Frameworks

Published on: June 9, 2023

2.6K

Oxidation states in solids from data-driven paradigms.

Yue Yin1, Hai Xiao1

  • 1Department of Chemistry, Tsinghua University Beijing 100084 China haixiao@tsinghua.edu.cn.

Chemical Science
|October 1, 2025
PubMed
Summary
This summary is machine-generated.

We introduce a data-driven method to compute oxidation states (OS) in solids, enabling accurate predictions for crystal structures. This approach provides a new way to understand chemical intuition computationally.

More Related Videos

Bulk and Thin Film Synthesis of Compositionally Variant Entropy-stabilized Oxides
09:41

Bulk and Thin Film Synthesis of Compositionally Variant Entropy-stabilized Oxides

Published on: May 29, 2018

10.0K
Tuning Oxide Properties by Oxygen Vacancy Control During Growth and Annealing
06:44

Tuning Oxide Properties by Oxygen Vacancy Control During Growth and Annealing

Published on: June 9, 2023

3.7K

Related Experiment Videos

Last Updated: Jan 16, 2026

Author Spotlight: Magnetometric Characterization of Intermediates in the Solid-State Electrochemistry of Redox-Active Metal-Organic Frameworks
06:53

Author Spotlight: Magnetometric Characterization of Intermediates in the Solid-State Electrochemistry of Redox-Active Metal-Organic Frameworks

Published on: June 9, 2023

2.6K
Bulk and Thin Film Synthesis of Compositionally Variant Entropy-stabilized Oxides
09:41

Bulk and Thin Film Synthesis of Compositionally Variant Entropy-stabilized Oxides

Published on: May 29, 2018

10.0K
Tuning Oxide Properties by Oxygen Vacancy Control During Growth and Annealing
06:44

Tuning Oxide Properties by Oxygen Vacancy Control During Growth and Annealing

Published on: June 9, 2023

3.7K

Area of Science:

  • Computational Chemistry
  • Materials Science
  • Data Science

Background:

  • Oxidation state (OS) is a fundamental chemical concept.
  • Calculating OSs accurately from physical laws is challenging.
  • Existing methods often rely on chemical intuition rather than computation.

Purpose of the Study:

  • To develop a data-driven paradigm for computing oxidation states in crystal structures.
  • To implement this paradigm as the Tsinghua Oxidation States in Solids (TOSS) computational tool.
  • To explore machine learning models for OS prediction.

Main Methods:

  • Utilized Bayesian maximum a posteriori (MAP) probability.
  • Developed TOSS with looping structures over large crystal structure datasets.
  • Trained a graph convolutional network (GCN) model using TOSS-derived OS data.

Main Results:

  • TOSS achieved a superior success rate on over one million crystal structures.
  • The GCN model provided an alternative, accurate OS prediction method.
  • Benchmarking against a curated ICSD dataset showed high accuracies (96.09% for TOSS, 97.24% for GCN).

Conclusions:

  • The data-driven TOSS paradigm successfully computes oxidation states as emergent properties.
  • Both TOSS and the GCN model offer accurate and reliable methods for OS determination.
  • This work demonstrates the potential of data-driven approaches for complex chemical problems.