𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Geometry and electronic structure of a heterometallic cluster Mo2Mg2in different oxidation states of Mo: a DFT study

✍ Scribed by T. A. Savinykh; A. F. Shestakov


Publisher
Springer
Year
2008
Tongue
English
Weight
480 KB
Volume
57
Category
Article
ISSN
1573-9171

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


A DFT study of the electronic structure
✍ Carolina Zuriaga-Monroy; JosΓ©-Manuel MartΓ­nez-MagadΓ‘n; Estrella Ramos; Rodolfo G πŸ“‚ Article πŸ“… 2009 πŸ› Elsevier Science 🌐 English βš– 353 KB

Molybdenum disulfide nanoparticles are of interest for their extensive use in heterogeneous catalysis. Here, we report a systematic density functional theory study carried out to investigate the electronic effects of Co(Ni) mono-substitutions on triangular molybdenum sulfide models of nanometric sca

Electronic Band Structure Study of A2Mo9
✍ H.-J. Koo; M.-H. Whangbo; S. Picard; S. Jobic; M. Potel; P. Gougeon πŸ“‚ Article πŸ“… 2000 πŸ› Elsevier Science 🌐 English βš– 179 KB

are metallic and exhibit resistivity anomalies below &115 and &80 K, respectively. The origin of these anomalies is explained in terms of their Fermi surfaces. Our study indicates that the resistivity anomalies of these compounds are caused by the partial nesting of their two-dimensional Fermi surfa

The electronic states and Lewis acidity
✍ Hiroto Tachikawa; Takeshi Tsuchida πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 457 KB

The electronic states of the surface and bulk aluminum ions in y-Al,O, have been determined by using ab initio molecular orbital (MO) method. As bulk and surface models of y-AlzOs, [Al(OH),J3-" and [Al(OH),\_,]4-" (n=4, 6) clusters for one-unit model and [A120(OH>,,J4-" and [A120(OH),\_2]6-m (m=6, 1