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Zeitschrift für Naturforschung B, ISSN 0932-0776, 02/2020, Volume 75, Issue 1, pp. 1 - 2
Journal Article
Zeitschrift für Naturforschung B, ISSN 0932-0776, 02/2020, Volume 75, Issue 1, pp. 41 - 50
We have performed a detailed structural analysis of several crystals from the Sb Te Se solid solution (with  = 0–1.55) using a combination of single-crystal... 
density-functional theory | crystal-structure analysis | van-der-Waals interaction | transmission electron microscopy | antimony telluride selenide
Journal Article
Angewandte Chemie, ISSN 0044-8249, 02/2020, Volume 132, Issue 9, pp. 3747 - 3752
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 02/2020, Volume 59, Issue 9, pp. 3718 - 3723
Journal Article
Nanoscale, ISSN 2040-3364, 02/2020, Volume 12, Issue 5, pp. 3121 - 3128
Oxygen evolution reaction (OER) catalysts are critical components of photoanodes for photoelectrochemical (PEC) water oxidation. Herein, nanostructured metal... 
Journal Article
JOURNAL OF PHYSICAL CHEMISTRY C, ISSN 1932-7447, 01/2020, Volume 124, Issue 1, pp. 152 - 160
Quaternary tantalum-based oxynitrides ATa(O,N)(3),with electronic band gaps between 1.8 and 2.4 eV, are promising materials for photochemical water-splitting.... 
SOLID-STATE NMR | PERFORMANCE | ATAON | MATERIALS SCIENCE, MULTIDISCIPLINARY | DYNAMICS | CHEMISTRY, PHYSICAL | WATER OXIDATION | NANOSCIENCE & NANOTECHNOLOGY | PLANE-WAVE | EFFICIENCY
Journal Article
Dalton Transactions, ISSN 1477-9226, 2020
Tin (II) oxide carbodiimide is a novel prospective semiconductor material with a band gap of 2.1 eV and lies chemically between metal oxides and metal... 
Journal Article
JOURNAL OF PHYSICAL CHEMISTRY C, ISSN 1932-7447, 12/2019, Volume 123, Issue 50, pp. 30640 - 30648
Phase change materials (PCM) are among the leading candidates for the next generation of nonvolatile data storage, and materials along the pseudobinary... 
MATERIALS SCIENCE, MULTIDISCIPLINARY | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | TOTAL-ENERGY CALCULATIONS | GETE2 | COHP | FILMS | INVERSE RESISTANCE | X-RAY | DIFFRACTION | CRYSTALLINE | PLANE-WAVE | TOOL
Journal Article
NATURE COMMUNICATIONS, ISSN 2041-1723, 08/2019, Volume 10, Issue 1, pp. 3525 - 10
Doping is indispensable to tailor phase-change materials (PCM) in optical and electronic data storage. Very few experimental studies, however, have provided... 
DENSITY | MULTIDISCIPLINARY SCIENCES | CRYSTALLIZATION BEHAVIOR | DYNAMICS | TOTAL-ENERGY CALCULATIONS | COHP | PLANE-WAVE | TOOL | Grain boundaries | Crystallization | Doping | Data storage | Antimony | Electron microscopy | Thermal stability | Phase change materials | Organic chemistry | Recrystallization | Dopants | Chemical bonds | Diffusion
Journal Article
Chemistry of Materials, ISSN 0897-4756, 11/2019, Volume 31, Issue 21, pp. 8839 - 8849
Journal Article
JOURNAL OF PHYSICAL CHEMISTRY A, ISSN 1089-5639, 10/2019, Volume 123, Issue 43, pp. 9328 - 9335
Using first-principles density-functional theory calculations, an in-depth study on the divalent 3d transition-metal carbodiimides with the general formula... 
CUNCN | OXIDE | CRYSTAL-STRUCTURE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | MNNCN | MAGNETIC-PROPERTIES | TOOL
Journal Article
Dalton Transactions, ISSN 1477-9226, 10/2019, Volume 48, Issue 40, pp. 15029 - 15035
In this work, we describe the synthesis and structure of the quaternary transition-metal cyanamides Na2MnSn2(NCN)6 and Li2MnSn2(NCN)6. These phases crystallise... 
Journal Article
ISSN 1477-9226, 10/2019, Volume 48, Issue 4, pp. 1529 - 1535
In this work, we describe the synthesis and structure of the quaternary transition-metal cyanamides Na 2 MnSn 2 (NCN) 6 and Li 2 MnSn 2 (NCN) 6 . These phases... 
Journal Article
ChemElectroChem, ISSN 2196-0216, 10/2019, Volume 6, Issue 19, pp. 5101 - 5108
Cobalt carbodiimide, CoNCN, shows outstanding performance as negative electrode material for Li‐ion batteries, maintaining a reversible capacity of 530 mAh g−1... 
anode materials | X-ray absorption spectroscopy | Li-ion batteries | carbodiimides | conversion reaction | Lithium-ion batteries | Electrodes | Nanoparticles | Transition metals | Electrode materials | Cobalt | Material chemistry | Chemical Sciences
Journal Article
RSC Advances, ISSN 2046-2069, 09/2019, Volume 9, Issue 51, pp. 29821 - 29830
Chemically understanding the electronic structure of a given material provides valuable information about its chemical as well as physical nature and, hence,... 
Journal Article
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