Holger Kleinke
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View article: Explainable Recommendation Engines to Predict Complex Intermetallics: Synthesis and Characterization of Gd10RuCd3, a Neutron Absorption Material
Explainable Recommendation Engines to Predict Complex Intermetallics: Synthesis and Characterization of Gd10RuCd3, a Neutron Absorption Material Open
The search for a neutron absorption material was aided by materials informatics tools, composing the developed recommendation engines. A new member in the ternary RE10MCd3 series, Gd10RuCd3, was predicted and synthesized as an experimental…
View article: Recent strides in artificial intelligence for predicting thermoelectric properties and materials discovery
Recent strides in artificial intelligence for predicting thermoelectric properties and materials discovery Open
Machine learning models as part of artificial intelligence have enjoyed a recent surge in answering a long-standing challenge in thermoelectric materials research. That challenge is to produce stable, and highly efficient, thermoelectric m…
View article: Large Improvements in the Thermoelectric Properties of SnSe by Fast Cooling
Large Improvements in the Thermoelectric Properties of SnSe by Fast Cooling Open
As reported during the last five years, SnSe is one of the leading thermoelectric (TE) materials with a very low lattice thermal conductivity. However, its elements are not as heavy as those of classical thermoelectric materials like PbTe …
View article: Composition and structure analyzer/featurizer for explainable machine-learning models to predict solid state structures
Composition and structure analyzer/featurizer for explainable machine-learning models to predict solid state structures Open
User-friendly and accessible featurizers generate features from CIFs in a high-throughput way to create simple and explainable machine-learning models.
View article: Correction: Thermoelectric properties and thermal stability of layered chalcogenides, TlScQ<sub>2</sub>, Q = Se, Te
Correction: Thermoelectric properties and thermal stability of layered chalcogenides, TlScQ<sub>2</sub>, Q = Se, Te Open
Correction for ‘Thermoelectric properties and thermal stability of layered chalcogenides, TlScQ 2 , Q = Se, Te’ by Vijayakumar Sajitha Aswathy et al. , Dalton Trans. , 2017, 46 , 17053–17060, https://doi.org/10.1039/C7DT03446F.
View article: The First Quaternary Bismuthide Zintl Phase Ba8Zn2-xIn3+xBi10 with complex Crystal Structure
The First Quaternary Bismuthide Zintl Phase Ba8Zn2-xIn3+xBi10 with complex Crystal Structure Open
The first quaternary Zintl phase Ba8Zn2–xIn3+xBi10 (x = 0.21–0.47) was synthesized by reacting the elements at high temperature and, its crystal structure determined from single crystal X-ray diffraction data. It crystallizes in the monocl…
View article: Covalent Carbide Interconnects Enable Robust Interfaces and Thin SEI for Graphite Anode Stability under Extreme Fast Charging
Covalent Carbide Interconnects Enable Robust Interfaces and Thin SEI for Graphite Anode Stability under Extreme Fast Charging Open
Carbonaceous and carbon‐coated electrodes are ubiquitous in electrochemical energy storage and conversion technologies due to their electrochemical stability, lightweight nature, and relatively low cost. However, traditional reliance on co…
View article: Composition and structure analyzer/featurizer for explainable machine-learning models to predict solid state structures
Composition and structure analyzer/featurizer for explainable machine-learning models to predict solid state structures Open
Traditional and non-classical machine learning models for solid-state structure prediction have predominantly relied on compositional features (derived from properties of constituent elements) to predict the existence of structure and its …
View article: Synthesis and Transport Properties of ZnSnP2-yAsy Chalcopyrite Solid Solutions
Synthesis and Transport Properties of ZnSnP2-yAsy Chalcopyrite Solid Solutions Open
This work focuses on the synthesis and properties of quaternary ZnSnP2-yAsy chalcopyrite solid solutions. Full miscibility of the solid solution is achieved using ball milling followed by hot press sintering. The measured electrical conduc…
View article: Stable 2,5‐Dihydroxy‐1,4‐benzoquinone Based Organic Cathode Enabled by Coordination Polymer Formation and Binder Optimization
Stable 2,5‐Dihydroxy‐1,4‐benzoquinone Based Organic Cathode Enabled by Coordination Polymer Formation and Binder Optimization Open
Organic electrode materials are gaining increased attention in energy storage applications, but often encounter challenges such as low capacity and poor cycling stability. This paper explores the utilization of a 1‐D coordination polymer, …
View article: CSD 2243827: Experimental Crystal Structure Determination
CSD 2243827: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: Y and La Doping in CaMnO<sub>3</sub> Compounds: Effects of Dopant Identity and Amount on Charge Transport Kinetics
Y and La Doping in CaMnO<sub>3</sub> Compounds: Effects of Dopant Identity and Amount on Charge Transport Kinetics Open
Enhancing electronic transport properties of thermoelectric oxides is of great technological importance. Oxides are promising candidates for waste heat harvesting at elevated temperatures as well as for electricity generation in low‐power …
View article: CSD 2286634: Experimental Crystal Structure Determination
CSD 2286634: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 2205192: Experimental Crystal Structure Determination
CSD 2205192: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 2205193: Experimental Crystal Structure Determination
CSD 2205193: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 2052791: Experimental Crystal Structure Determination
CSD 2052791: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 2052790: Experimental Crystal Structure Determination
CSD 2052790: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 2038708: Experimental Crystal Structure Determination
CSD 2038708: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 2013121: Experimental Crystal Structure Determination
CSD 2013121: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 2013122: Experimental Crystal Structure Determination
CSD 2013122: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 2013123: Experimental Crystal Structure Determination
CSD 2013123: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: Thermoelectric properties and stability of Ba3Cu16 − <i>x</i>Se11 − <i>y</i>Te<i>y</i>
Thermoelectric properties and stability of Ba3Cu16 − <i>x</i>Se11 − <i>y</i>Te<i>y</i> Open
Ba3Cu16 − xSe11 − yTey materials were synthesized with different compositions by a melting and slow cooling process. Measurement of the thermoelectric properties revealed changes during repeated measurements of the same samples. This scena…
View article: CSD 1889748: Experimental Crystal Structure Determination
CSD 1889748: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…