TY  - JOUR
A1  - Abouserie, Ahed
A1  - Zehbe, Kerstin
A1  - Metzner, Philipp
A1  - Kelling, Alexandra
A1  - Günter, Christina
A1  - Schilde, Uwe
A1  - Strauch, Peter
A1  - Körzdörfer, Thomas
A1  - Taubert, Andreas
T1  - Alkylpyridinium Tetrahalidometallate Ionic Liquids and Ionic Liquid Crystals: Insights into the Origin of Their Phase Behavior
JF  - European journal of inorganic chemistry : a journal of ChemPubSoc Europe
N2  - Six N-alkylpyridinium salts [CnPy](2)[MCl4] (n = 4 or 12 and M = Co, Cu, Zn) were synthesized, and their structure and thermal properties were studied. The [C4Py](2)[MCl4] compounds are monoclinic and crystallize in the space group P2(1)/n. The crystals of the longer chain analogues [C12Py](2)[MCl4] are triclinic and crystallize in the space group P (1) over bar. Above the melting temperature, all compounds are ionic liquids (ILs). The derivatives with the longer C12 chain exhibit liquid crystallinity and the shorter chain compounds only show a melting transition. Consistent with single-crystal analysis, electron paramagnetic resonance spectroscopy suggests that the [CuCl4](2-) ions in the Cu-based ILs have a distorted tetrahedral geometry.
KW  - Ionic liquids
KW  - Alkylpyridinium salts
KW  - Structure elucidation
KW  - Phase transitions
Y1  - 2017
U6  - https://doi.org/10.1002/ejic.201700826
SN  - 1434-1948
SN  - 1099-0682
SP  - 5640
EP  - 5649
PB  - Wiley-VCH
CY  - Weinheim
ER  - 
TY  - JOUR
A1  - Kar, Manaswita
A1  - Körzdörfer, Thomas
T1  - Computational high throughput screening of inorganic cation based halide perovskites for perovskite only tandem solar cells
JF  - Materials Research Express
N2  - We search for homovalent alternatives for A, B, and X-ions in ABX(3) type inorganic halide perovskites suitable for tandem solar cell applications. We replace the conventional A-site organic cation CH3NH3, by 3 inorganic cations, Cs, K, and Rb, and the B site consists of metals; Cd, Hg, Ge, Pb, and Sn This work is built on our previous high throughput screening of hybrid perovskite materials (Kar et al 2018 J. Chem. Phys. 149, 214701). By performing a systematic screening study using Density Functional Theory (DFT) methods, we found 11 suitable candidates; 2 Cs-based, 3 K-based and 6 Rb-based that are suitable for tandem solar cell applications.
KW  - inorganic perovskites
KW  - tandem solar cells
KW  - density functional theory
Y1  - 2020
U6  - https://doi.org/10.1088/2053-1591/ab8c0d
SN  - 2053-1591
VL  - 7
IS  - 5
SP  - 1
EP  - 10
PB  - IOP Publ. Ltd.
CY  - Bristol
ER  - 
TY  - GEN
A1  - Kar, Manaswita
A1  - Körzdörfer, Thomas
T1  - Computational high throughput screening of inorganic cation based halide perovskites for perovskite only tandem solar cells
T2  - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe
N2  - We search for homovalent alternatives for A, B, and X-ions in ABX(3) type inorganic halide perovskites suitable for tandem solar cell applications. We replace the conventional A-site organic cation CH3NH3, by 3 inorganic cations, Cs, K, and Rb, and the B site consists of metals; Cd, Hg, Ge, Pb, and Sn This work is built on our previous high throughput screening of hybrid perovskite materials (Kar et al 2018 J. Chem. Phys. 149, 214701). By performing a systematic screening study using Density Functional Theory (DFT) methods, we found 11 suitable candidates; 2 Cs-based, 3 K-based and 6 Rb-based that are suitable for tandem solar cell applications.
T3  - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 1438 
KW  - inorganic perovskites
KW  - tandem solar cells
KW  - density functional theory
Y1  - 2020
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-516831
SN  - 1866-8372
IS  - 5
ER  - 
TY  - JOUR
A1  - Keller, Adrian
A1  - Rackwitz, Jenny
A1  - Cauet, Emilie
A1  - Lievin, Jacques
A1  - Körzdörfer, Thomas
A1  - Rotaru, Alexandru
A1  - Gothelf, Kurt V.
A1  - Besenbacher, Flemming
A1  - Bald, Ilko
T1  - Sequence dependence of electron-induced DNA strand breakage revealed by DNA nanoarrays
JF  - Scientific reports
Y1  - 2014
U6  - https://doi.org/10.1038/srep07391
SN  - 2045-2322
VL  - 4
PB  - Nature Publ. Group
CY  - London
ER  -