The transition metals may be subdivided according to the electronic structures of their atoms into three main transition series, called the first, second, and third transition series, and two inner transition series, called the lanthanoids and the actinoids. Britannica Quiz Facts You Should Know:...
Figure 1dalso shows that the chalcogen atoms have minor effect on∠MXM compared with the transition metals with differentd-electron counts, but a trend can still be observed: the∠MXM decreases with increasing atomic number of the chalcogen. For example, the∠MXM of TiS2, TiSe2and TiTe2decrea...
A first principles study of the electronic properties and bulk modulus (B_0) of the fcc and bcc transition metals, transition metal carbides and nitrides is presented. The calculations were performed by plane-wave pseudopotential method in the framework of the density functional theory with local ...
Metallization by lifting the σ-electron band to the Fermi level depends on the chemical compositions and crystal structures of the materials studied and does not follow a fixed model. The following discussion will explore several specific examples to illustrate potential methods toward metallization. (...
(Ti+3/Ti+4 = 0.07) samples compared to the pristine one, TiO2 (Ti+3/Ti+4 = 0.02), where the greater presence of Ti+3 for a higher Nb content indicated that some Ti4+ ions are reduced to Ti3+ ions, compensating additional positive charges associated with the presence of Nb5+ ions...
Reactionmechanisms for the synthesis of indenamines, indenols,and isoquinolinium salts through cobalt- and rhodium-catalysis wereinvestigated using density functional theory calculations. We foundthat the valence charge of transition metals dramatically influencesthe reaction pathways. Catalytic reactions invo...
When certain metals and ceramics are cooled below a critical temperature, superconductivity abruptly emerges21. Another seminal example is Anderson localization1, which is a sudden metal–insulator transition when uncorrelated randomness in a system is increased beyond a critical level. A paradigmatic ...
metalspowersemiconductorsspecific heatstrontium boridesFrom a first-principles band calculation, InTaO4 is predicted to be an indirect-gap material, because ... J Etourneau,J Mercurio,R Naslain,... - 《Physics of Condensed Matter》 被引量: 4发表: 1970年 Charge Transfer in Some Transition-Met...
Transition metals: Taking charge
Transition metals: Taking charge The oxidation state of a transition metal in a crystal lattice is conventionally viewed as reflecting physical ionization: electrons have been transferred to or from the atom, leaving a point-like charged entity (ion). Such a picture is still sometimes invoked to ...