Materials Literature
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We have investigated the permittivity and viscoelastic behavior of a binary system comprising bent-core and calamitic compounds, both of which are polar, the calamitic being more strongly so, and exhibiting only the nematic mesophase. The permittivity data in the nematic as well as the isotropic phase indicate strong…
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space grou…
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space grou…
Background Seismic impact on objects of oil and gas complex (OGC) can cause a number of secondary emergency situations of technogenic nature such as explosions, fires, emissions of chemically hazardous objects, etc. Consequences (number of injuries and victims, material damage) from actions of secondary accidents quit…
Triphilic ionic liquids (containing polar, apolar, and fluorinated components) that can hydrogen bond present a new paradigm in ionic liquid structural morphology. In this study we show that butylammonium pentadecafluorooctanoate and its nonfluorinated analogue butylammonium octanoate form disordered bicontinuous phas…
LiFe0.99RE0.01PO4/C cathode material was synthesized by solid-state reaction method using FeC2O4·2H2O, Li2CO3, NH4H2PO4, RE(NO3)3·nH2O as raw materials and glucose as a carbon source. The doping effects of rare earth ions, such as La3+, Ce3+, Nd3+, on the structure and electrochemical properties of LiFePO4/C cathode m…
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space grou…
Sulfur hexafluoride (SF6) is widely used in modern high voltage gas insulated equipment. Despite of its excellent electrical and thermal performance, it is known as an extremely strong greenhouse gas and therefore a replacement is needed. One of the potential candidates is carbon dioxide (CO2), however many questions…
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space grou…
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
CdS/ZnO branched heterostructures have been successfully synthesized by combining thermal vapour deposition and a hydrothermal method. Drastic optoelectronic performance enhancement of such heterostructures was revealed, compared to plain CdS nanobelts, as documented by comparative in situ optoelectronic studies on co…
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space grou…
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space grou…
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space grou…
Conditions for discontinuous bifurcation in limit states of thermodynamically consistent microplane theory for cohesive-frictional materials like concrete are evaluated by means of analytical methods. Explicit solutions for brittle failure conditions in the form of discontinuous bifurcation are proposed. Numerical ana…
Ph.D
Research on electrocatalysts for water oxidation into hydrogen and oxygen is of great importance in order to combat global warming and make sustainable technology more efficient and economically viable.\nThis thesis studies water oxidation on a cobalt-porphyrine catalyst with density functional theory (DFT), using the…
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space grou…
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space grou…
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations