TY - JOUR
T1 - Effect of organic chain length on structure, electronic composition, lattice potential energy, and optical properties of 2D hybrid perovskites [(NH3)(CH2)n(NH3)]CuCl4, n = 2–9
AU - Abdel-Aal, Seham K.
AU - Kocher-Oberlehner, Gudrun
AU - Ionov, Andrei
AU - Mozhchil, R. N.
PY - 2017/8
Y1 - 2017/8
N2 - Diammonium series of Cu hybrid perovskites of the formula [(NH3)(CH2)n(NH3)]CuCl4, n = 6–9 are prepared from an ethanolic solution in stoichiometric ratio 1:1 (organic/inorganic). Formation of the desired material was confirmed and characterizes by microchemical analysis, FTIR, XRD and XPS spectra. The structure consists of corner-shared octahedron [CuCl4]2− anion alternative by organic [(NH3)(CH2)n(NH3)]2+ cations. The organic and inorganic layers form infinite 2D sheet that are connected via NH···Cl hydrogen bond. The calculated lattice potential energy Upot (kJ/mol) and lattice enthalpy ΔHL (kJ/mol) are inversely proportional to the molecular volume Vm (nm3) and organic chain length. Optical properties show strong absorption peak at UV–visible range. The band gap energy calculated using Kubelka–Munk equation shows the decrease of the energy gap as organic chain length increases. The introduction of bromide ion to [(NH3)(CH2)n(NH3)]CuCl2Br2 denoted 2C7CuCB hybrid has shifted the energy gap to lower values from 2.6 to 2.18 eV for 2C7CuCl (yellow) and 2C7CuCB (brown), respectively, at the same organic chain length. All elements of [(NH3)(CH2)9(NH3)]CuCl4 and [(NH3)(CH2)7(NH3)]CuCl2Br2 were found in XPS spectra, as well as valence band spectra.
AB - Diammonium series of Cu hybrid perovskites of the formula [(NH3)(CH2)n(NH3)]CuCl4, n = 6–9 are prepared from an ethanolic solution in stoichiometric ratio 1:1 (organic/inorganic). Formation of the desired material was confirmed and characterizes by microchemical analysis, FTIR, XRD and XPS spectra. The structure consists of corner-shared octahedron [CuCl4]2− anion alternative by organic [(NH3)(CH2)n(NH3)]2+ cations. The organic and inorganic layers form infinite 2D sheet that are connected via NH···Cl hydrogen bond. The calculated lattice potential energy Upot (kJ/mol) and lattice enthalpy ΔHL (kJ/mol) are inversely proportional to the molecular volume Vm (nm3) and organic chain length. Optical properties show strong absorption peak at UV–visible range. The band gap energy calculated using Kubelka–Munk equation shows the decrease of the energy gap as organic chain length increases. The introduction of bromide ion to [(NH3)(CH2)n(NH3)]CuCl2Br2 denoted 2C7CuCB hybrid has shifted the energy gap to lower values from 2.6 to 2.18 eV for 2C7CuCl (yellow) and 2C7CuCB (brown), respectively, at the same organic chain length. All elements of [(NH3)(CH2)9(NH3)]CuCl4 and [(NH3)(CH2)7(NH3)]CuCl2Br2 were found in XPS spectra, as well as valence band spectra.
UR - http://www.scopus.com/inward/record.url?scp=85025472254&partnerID=8YFLogxK
U2 - 10.1007/s00339-017-1150-8
DO - 10.1007/s00339-017-1150-8
M3 - Article
AN - SCOPUS:85025472254
SN - 0947-8396
VL - 123
JO - Applied Physics A: Materials Science and Processing
JF - Applied Physics A: Materials Science and Processing
IS - 8
M1 - 531
ER -