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

You might also read

Related Articles

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

Sort by
Same author

Two-dimensional Mo<sub>3</sub>N<sub>2</sub> MXene as a competitive-capacity and metallic anode for lithium-ion batteries.

Nanoscale·2026
Same author

Optical Property Simulations of Gold and Silver Nanostructured Arrays Within a Liquid Crystal Environment.

Materials (Basel, Switzerland)·2025
Same author

Disentangling natural and anthropogenic influences on the spatial variability of soil cadmium contamination.

Environmental pollution (Barking, Essex : 1987)·2025
Same author

Design, modeling, and experimental evaluation of a piezoelectric actuator based on four-stage magnifying mechanism.

The Review of scientific instruments·2025
Same author

Spaceborne Sparse SAR Imaging Mode Design: From Theory to Implementation.

Sensors (Basel, Switzerland)·2025
Same author

Microscopic dynamics of enhanced glass-forming ability with minor oxygen addition in bulk metallic glasses.

The Journal of chemical physics·2025
Same journal

Correction: Chen et al. Chemical Composition of <i>Litsea pungens</i> Essential Oil and Its Potential Antioxidant and Antimicrobial Activities. <i>Molecules</i> 2023, <i>28</i>, 6835.

Molecules (Basel, Switzerland)·2026
Same journal

Correction: Ruan et al. Comparison of Extraction, Isolation, Purification, Structural Characterization and Immunomodulatory Activity of Polysaccharides from Two Species of <i>Cistanche</i>. <i>Molecules</i> 2025, <i>30</i>, 4754.

Molecules (Basel, Switzerland)·2026
Same journal

Correction: Li et al. Gastrodin Ameliorates Cognitive Dysfunction in Vascular Dementia Rats by Suppressing Ferroptosis via the Regulation of the Nrf2/Keap1-GPx4 Signaling Pathway. <i>Molecules</i> 2022, <i>27</i>, 6311.

Molecules (Basel, Switzerland)·2026
Same journal

Correction: Zueva et al. Steady-State Kinetics of Enzyme-Catalyzed Hydrolysis of Echothiophate, a P-S Bonded Organophosphorus as Monitored by Spectrofluorimetry. <i>Molecules</i> 2020, <i>25</i>, 1371.

Molecules (Basel, Switzerland)·2026
Same journal

1,4-Diazatriphenylene and Its Hetero-Fused Analogs: Synthesis and Applications.

Molecules (Basel, Switzerland)·2026
Same journal

Comparative Phytochemical Studies on the Aerial Parts of <i>Teucrium davaeanum</i> Coss. and <i>Teucrium zanonii</i> Pamp.

Molecules (Basel, Switzerland)·2026
See all related articles

Related Experiment Video

Updated: Jun 4, 2025

Synthesis of Metal Nanoparticles Supported on Carbon Nanotube with Doped Co and N Atoms and its Catalytic Applications in Hydrogen Production
08:40

Synthesis of Metal Nanoparticles Supported on Carbon Nanotube with Doped Co and N Atoms and its Catalytic Applications in Hydrogen Production

Published on: December 6, 2021

3.5K

First-Principles Study of Titanium-Doped B7 Cluster for High Capacity Hydrogen Storage.

Haishen Huang1, Guoxu Li2, Zhenqiang Li2

  • 1School of Physics and Electronic Science, Zunyi Normal University, Zunyi 563006, China.

Molecules (Basel, Switzerland)
|December 17, 2024
PubMed
Summary
This summary is machine-generated.

Titanium-doped Boron-7 (TiB7) clusters show promise for hydrogen storage, capable of reversible adsorption of five H2 molecules under mild conditions. This discovery highlights their potential for practical hydrogen storage applications.

Keywords:
DFTboron clusterhydrogen storagetitanium dopingtransition state

More Related Videos

Co-localizing Kelvin Probe Force Microscopy with Other Microscopies and Spectroscopies: Selected Applications in Corrosion Characterization of Alloys
12:18

Co-localizing Kelvin Probe Force Microscopy with Other Microscopies and Spectroscopies: Selected Applications in Corrosion Characterization of Alloys

Published on: June 27, 2022

2.6K
Supercritical Nitrogen Processing for the Purification of Reactive Porous Materials
09:05

Supercritical Nitrogen Processing for the Purification of Reactive Porous Materials

Published on: May 15, 2015

14.7K

Related Experiment Videos

Last Updated: Jun 4, 2025

Synthesis of Metal Nanoparticles Supported on Carbon Nanotube with Doped Co and N Atoms and its Catalytic Applications in Hydrogen Production
08:40

Synthesis of Metal Nanoparticles Supported on Carbon Nanotube with Doped Co and N Atoms and its Catalytic Applications in Hydrogen Production

Published on: December 6, 2021

3.5K
Co-localizing Kelvin Probe Force Microscopy with Other Microscopies and Spectroscopies: Selected Applications in Corrosion Characterization of Alloys
12:18

Co-localizing Kelvin Probe Force Microscopy with Other Microscopies and Spectroscopies: Selected Applications in Corrosion Characterization of Alloys

Published on: June 27, 2022

2.6K
Supercritical Nitrogen Processing for the Purification of Reactive Porous Materials
09:05

Supercritical Nitrogen Processing for the Purification of Reactive Porous Materials

Published on: May 15, 2015

14.7K

Area of Science:

  • Materials Science
  • Computational Chemistry
  • Nanotechnology

Background:

  • Developing efficient hydrogen storage materials is crucial for clean energy technologies.
  • Boron clusters offer unique electronic and structural properties for material applications.
  • Titanium doping can enhance the properties of boron clusters.

Purpose of the Study:

  • To investigate the geometrical structure, stability, electronic properties, and hydrogen storage capacity of titanium-doped B7 clusters.
  • To evaluate the potential of TiB7 clusters for reversible hydrogen storage under near-ambient conditions.

Main Methods:

  • Density functional theory (DFT) computations were employed to calculate the properties of the TiB7 cluster.
  • Ab initio molecular dynamics simulations were used to assess the stability of the cluster.
  • Transition state analysis was performed to understand hydrogen dissociation mechanisms.

Main Results:

  • The TiB7 cluster is stable under near-ambient conditions.
  • The cluster can reversibly adsorb up to five H2 molecules, reaching a 7.5% hydrogen storage mass fraction.
  • Average H2 adsorption energy (0.27-0.32 eV) indicates suitability for reversible storage under mild conditions.
  • Polarization and hybridization mechanisms are key to H2 adsorption on the TiB7 cluster.

Conclusions:

  • The TiB7 cluster exhibits significant potential as a material for hydrogen storage applications.
  • The reversible hydrogen storage capabilities under mild conditions make TiB7 a promising candidate for practical energy solutions.