Related Experiment Video
Updated: May 30, 2026

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
Ground-state phase diagram of Na(x)CoO(2): correlation of Na ordering with CoO(2) stacking sequences
1Department of Physics and Key Laboratory of Atomic and Molecular Nanoscience (Ministry of Education), Tsinghua University, Beijing 100084, People's Republic of China.
Abstract:
We have proposed a Hamiltonian that takes into account both Na-Na interactions and coupling between Na ions and CoO(2) layers. By a combination of the Monte Carlo and first-principles approaches, all the possible stacking sequences of CoO(2) layers together with the Na ordering have been obtained. In particular, an infinite series of ground states of Na ordering has been predicted in P3-Na(x)CoO(2). We have obtained the ground-state phase diagram with the variation of Na concentration, which explains well the complex variation of the CoO(2) stacking sequences. Our calculations show that the ordering of Na ions to minimize the Coulomb interaction is the main cause of the variation of the CoO(2) stacking sequences.
Related Concept Videos
Metallic Solids
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability. Many...
Phase Diagrams of Ternary Systems
Coordination Compounds and Nomenclature
Crystal Field Theory - Octahedral Complexes
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...
Phase Diagrams
Network Covalent Solids
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...

