Related Experiment Video
Updated: Feb 16, 2026
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
4.3K
High-Pressure Formation of Cobalt Polyhydrides: A First-Principle Study
Liyuan Wang1, Defang Duan1, Hongyu Yu1
1State Key Laboratory of Superhard Materials, College of Physics, Jilin University , Changchun, 130012, P. R. China.
Inorganic Chemistry
|December 20, 2017
Summary
Researchers discovered new cobalt polyhydrides, CoH2 and CoH3, under high pressure. These materials show metallic properties and potential for hydrogen storage, but are not superconductors.
Area of Science:
- Materials Science
- Condensed Matter Physics
- Computational Chemistry
Background:
- Cobalt hydrides are compounds of cobalt and hydrogen.
- Understanding their high-pressure behavior is crucial for materials discovery.
Purpose of the Study:
- To systematically investigate the high-pressure phase diagram, crystal structures, and electronic properties of cobalt hydrides.
- To discover novel cobalt polyhydrides and assess their potential applications.
Main Methods:
- First-principle calculations were employed to simulate cobalt hydrides.
- The study covered a pressure range from 1 atm to 300 GPa.
- Crystal structures and electronic properties were analyzed.
Main Results:
- Two new cobalt polyhydrides, CoH2 and CoH3, were discovered at 10 GPa and 30 GPa, respectively.
- CoH3 exhibits stability up to 300 GPa and a high volumetric hydrogen density (425 g H2/L), indicating potential for hydrogen storage.
- All investigated cobalt polyhydrides displayed metallic and ionic characteristics at high pressures.
Conclusions:
- The study expands the known phase diagram of cobalt hydrides.
- Cobalt polyhydrides present promising characteristics for hydrogen storage applications.
- Superconductivity was not predicted for these cobalt polyhydrides using the Allen-Dynes-modified McMillan equation.
Related Concept Videos
02:58Crystal Field Theory - Octahedral Complexes
31.0K
Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
31.0K
02:42Valence Bond Theory
11.4K
Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
11.4K
03:02Colors and Magnetism
14.2K
Color in Coordination Complexes
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human...
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human...
14.2K
02:32Bonding in Metals
53.4K
Metallic bonds are formed between two metal atoms. A simplified model to describe metallic bonding has been developed by Paul Drüde called the “Electron Sea Model”.
53.4K
02:37Metallic Solids
21.0K
Metallic solids such as crystals of copper, aluminum, and iron are formed by metal atoms. The structure of metallic crystals is often described as a uniform distribution of atomic nuclei within a “sea” of delocalized electrons. The atoms within such a metallic solid are held together by a unique force known as metallic bonding that gives rise to many useful and varied bulk properties.
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability....
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability....
21.0K
02:18Network Covalent Solids
16.3K
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...
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...
16.3K