Electronic structure of copper phthalocyanine from calculations
We present all-electron G 0 W 0 calculations for the electronic structure of the organic
semiconductor copper phthalocyanine, based on semilocal and hybrid density-functional …
semiconductor copper phthalocyanine, based on semilocal and hybrid density-functional …
Density functional theory of transition metal phthalocyanines, II: áelectronic structure of MnPc and FePc—symmetry and symmetry breaking
We present a two-part systematic density functional theory (DFT) study of the electronic
structure of selected transition metal phthalocyanines. We use a semi-local generalized …
structure of selected transition metal phthalocyanines. We use a semi-local generalized …
Phthalocyanine-based magnets
N Ishikawa - Functional phthalocyanine molecular materials, 2010 - Springer
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Electronic properties of transition metal phthalocyanines: The impact of the central metal atom (d5–d10)
M Grobosch, C Schmidt, R Kraus, M Knupfer - Organic Electronics, 2010 - Elsevier
A combined spectroscopic investigation of transition metal phthalocyanines (TMPc's) has
been carried out using electron energy-loss spectroscopy and photoemission spectroscopy …
been carried out using electron energy-loss spectroscopy and photoemission spectroscopy …
Subspace representations in ab initio methods for strongly correlated systems
DD O'Regan, DD O'Regan - Optimised projections for the ab initio …, 2012 - Springer
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Controllable molecular packing motif and overlap type in organic nanomaterials for advanced optical properties
The optical properties of organic materials are very sensitive to subtle structural modification,
and a proper understanding of the structure-property relationship is essential to improve the …
and a proper understanding of the structure-property relationship is essential to improve the …
Crystal structure tuning in organic nanomaterials for fast response and high sensitivity visible-NIR photo-detector
A new polymorph of copper hexadecafluorophthalocyanine, η-F16CuPc, was fabricated via
organic vapor phase deposition. The crystal structure, morphology and optical properties of …
organic vapor phase deposition. The crystal structure, morphology and optical properties of …
Identification of the electronic states of manganese phthalocyanine close to the Fermi level
M Grobosch, B Mahns, C Loose, R Friedrich… - Chemical Physics …, 2011 - Elsevier
The electronic properties of two metal phthalocyanines, CuPc and MnPc, have been
investigated by a combined experimental and theoretical approach. We demonstrate that the …
investigated by a combined experimental and theoretical approach. We demonstrate that the …
Electronic structure and exchange interactions in cobalt-phthalocyanine chains
The magnetic properties and electronic structure of cobalt phthalocyanine (CoPc, spin-1 2)
molecular chains have been studied using density functional theory with a hybrid exchange …
molecular chains have been studied using density functional theory with a hybrid exchange …
Experimental and theoretical studies of the structure and optical properties of nickel phthalocyanine nanowires
By using organic vapor phase deposition method, nickel phthalocyanines (NiPc) nanowires
were successfully prepared, and the effects of heating temperature on the structural and …
were successfully prepared, and the effects of heating temperature on the structural and …