Origin and processes of O-Cu(001) and the O-Cu(110) biphase ordering

摘要

From the perspective of bond forming, origin of phase-formation on the O-Cu(001) and the O-Cu(110) is analysed. It is suggested that the formation of the O-1 and the hybridized-O-2 gives in nature the c(2 x 2)-O and subsequently, the (root 2 x 2 root 2)R45 degrees-O phase, on the Cu(001). The re-ordering of the primary Cu2O units transforms the Cu(110)-(2 x 1)-O into the c(6 x 2)-O. As consequences of the O-2 hybridization, the Cu(001)-(root 2 x 2 root 2)R45 degrees-O differs from the Cu(110)-(2 x 1)-O in origin by nothing more than that the -O-Cu- chain rotates 45 degrees to fit itself to the coordination-surrounding. It is proposed that one metal atom may donate more than one-electron to different oxygen atoms. However, one oxygen, with two directional bonding orbitals and two nonbonding orbitals, can never get more than one-electron from a specific metal atom. The sp hybridization of oxygen cannot occur before its two bonding orbitals are fully occupied. Besides the ionization of oxygen and metal atoms, the polarization of the metal and the hybridization of O-2 dominate the processes of oxidation and the behavior of the oxides. Further considerations are required regarding how the O-coverage reversibly varies the valence-state of oxygen, and how the coverage and temperature reassemble the Cu2O on the Cu(110). [References: 46]