Specific features of the electronic and crystal structure of Cu_xZrSe₂ (0 < x ≤ 0.3)

Abstract

Crystal and electronic structure, optical absorption and transmission spectra, temperature dependences of conductivity and magnetic susceptibility were studied for copper intercalated ZrSe2 in the copper concentration range of 0 ≤ x ≤ 0.3.

Theoretical investigations on the properties of graphene supported metal (Al, Zn, Fe) catalysts and the reaction mechanism of catalyzing water to hydrogen peroxide

“…The valence electron configurations of metal atoms Al, Zn, and Fe are respectively: 3s 2 3p 1 , 3d 10 4s 2 , 3d 6 4s 2 . If Fermi level is in the DOS zero interval, it indicates that the system is a semiconductor or an insulator [38]. It can be seen from Figure S5 that Fermi energy level crosses with state density values, presenting the characteristics of metallicities of graphene and R(Al, Zn, Fe)‐GR.…”

“…The valence electron configurations of metal atoms Al, Zn, and Fe are respectively: 3s 2 3p 1 , 3d 10 4s 2 , 3d 6 4s 2 . If Fermi level is in the DOS zero interval, it indicates that the system is a semiconductor or an insulator [38].…”

Metals (Al, Fe, Zn) doped in single walled carbon nanotubes for catalytic oxidation of H2O to H2O2: a theoretical investigation

“…If the Fermi level is in the range of zero DOS, it means that it is a semiconductor or an insulator. 51 The Fermi levels of SWCNTs, Al-SWCNTs, Zn-SWCNTs and Fe-SWCNTs are À2.19, À2.62, À2.63 and À2.73 eV, respectively. It can be seen from Fig.…”

“…The valence electron arrangements of the metal atoms Al, Zn, and Fe are 3s 2 3p 1 , 3d 10 4s 2 , and 3d 6 4s 2 , respectively. If the Fermi level is in the range of zero DOS, it means that it is a semiconductor or an insulator 51. The Fermi levels of SWCNTs, Al-SWCNTs, Zn-SWCNTs and Fe-SWCNTs are À2.19, À2.62, À2.63 and À2.73 eV, respectively.…”

Electronic and crystal structure of bi-intercalated titanium diselenide CuxNiyTiSe2

“…However, for all the studied compounds Cu x MeCh 2 (Me = Ti, Zr; Ch = S, Se, Te) Cu states are not observed near the Fermi level. 27,28 To clarify the partial contribution to the states near the Fermi level, the resonant photoemission spectroscopy was used. [29][30][31][32] The valence band spectra for Cu x Ni y TiSe 2 obtained in the Ti 2p 3/2 -3d resonant excitation mode are shown in Fig.…”