activity
20212025
most citedDynamic doping and Cottrell atmosphere optimize the thermoelectric performance of n-type PbTe

57 citations · 79 across the 14 of their papers we have counts for

collaborators

15 papers

cond-mat.mtrl-sci2025

Chemically tailored planar defect phases in the Ta-Fe μ-phase

Christina Gasper, Nisa Ulumuddin, Siyuan Zhang +5

Intermetallics often exhibit complex crystal structures, which give rise to intricate defect structures that critically influence their mechanical and functional properties. Despit…

physics.chem-ph2023

Contribution of the oxygen reduction reaction to the electrochemical cathodic partial reaction for Mg-Al-Ca solid solutions

Markus Felten, Siyuan Zhang, Rasa Changizi +5

The electrochemical corrosion rate of Magnesium (Mg) and Mg alloys depends on the stability of the formed surface layer. Based on the Mg substrate, the oxide structure comprises a…

cond-mat.mtrl-sci2023★ 17 cited

Atomic cluster expansion for Pt-Rh catalysts: From ab initio to the simulation of nanoclusters in few steps

Yanyan Liang, Matous Mrovec, Yury Lysogorskiy +3

Insight into structural and thermodynamic properties of nanoparticles is crucial for designing optimal catalysts with enhanced activity and stability. We present a semi-automated w…

cond-mat.mtrl-sci2023★ 2 cited

Tailoring the plasticity of topologically close-packed phases via the crystals' fundamental building blocks

Wei Luo, Zhuocheng Xie, Siyuan Zhang +10

Brittle topologically close-packed precipitates form in many advanced alloys. Due to their complex structures little is known about their plasticity. Here, we present a strategy to…

cond-mat.mtrl-sci2023★ 1 cited

Constructing phase diagrams for defects by correlated atomic-scale characterization

Xuyang Zhou, Prince Mathews, Benjamin Berkels +10

Phase transformations and crystallographic defects are two essential tools to drive innovations in materials. Bulk materials design via tuning chemical compositions has been system…

cond-mat.mtrl-sci2023

Chemical and structural characterization of the native oxide scale on a Mg-based alloy

Deborah Neuß, Ingrid E. McCarroll, Siyuan Zhang +11

In this study, the structure and composition of the native oxide forming on the basal plane (0001) of Mg-2Al-0.1Ca is investigated by a correlative approach, combining scanning tra…

cond-mat.mtrl-sci2022

Preferred corrosion pathways for oxygen in Al2Ca-twin boundaries and dislocations

Nicolas J. Peter, Daniela Zander, Xumeng Cao +5

With an ongoing discussion on the oxygen diffusion along crystal defects remaining, it is difficult to study this phenomenon in Al containing intermetallic materials due to its rap…

cond-mat.mtrl-sci2022★ 1 cited

Elemental (im-)miscibility determines phase formation of multinary nanoparticles co-sputtered in ionic liquids

Michael Meischein, Alba Garzón-Manjón, Thomas Hammerschmidt +5

Non-equilibrium synthesis methods allow to alloy bulk-immiscible elements into multinary nanoparticles, which broadens the design space for new materials. Whereas sputtering onto s…

cond-mat.mtrl-sci2022

Correlating atom probe tomography with X-Ray and electron spectroscopies to understand microstructure-activity relationships in electrocatalysts

Baptiste Gault, Kevin Schweinar, Siyuan Zhang +4

The search for a new energy paradigm with net-zero carbon emissions requires new technologies for energy generation and storage that are at the crossroad between engineering, chemi…

cond-mat.mtrl-sci2022★ 57 cited

Dynamic doping and Cottrell atmosphere optimize the thermoelectric performance of n-type PbTe

Yuan Yu, Chongjian Zhou, Xiangzhao Zhang +9

High thermoelectric energy conversion efficiency requires a large figure-of-merit, zT, over a broad temperature range. To achieve this, we optimize the carrier concentrations of n-…

cond-mat.mtrl-sci2022★ 1 cited

In-situ nitriding of Fe2VAl during laser surface remelting to manipulate microstructure and crystalline defects

Leonie Gomell, Shao-Pu Tsai, Moritz Roscher +5

Tailoring the physical properties of complex materials for targeted applications requires optimizing the microstructure and crystalline defects that influence electrical and therma…

cond-mat.mtrl-sci2022

Controlled doping of electrocatalysts through engineering impurities

Se-Ho Kim, Su-Hyun Yoo, Sangyong Shin +9

Fuel cells recombine water from H2 and O2 thereby powering e.g. cars or houses with no direct carbon emission. In anion-exchange membrane fuel cells (AEMFCs), to reach high power d…

cond-mat.mtrl-sci2021

Microstructure manipulation by laser-surface remelting of a full-Heusler compound to enhance thermoelectric properties

Leonie Gomell, Tobias Haeger, Moritz Roscher +5

There is an increasing reckoning that the thermoelectric performance of a material is dependent on its microstructure. However, the microstructure-properties relationship often rem…

cond-mat.mtrl-sci2021

Dopant-segregation to grain boundaries controls electrical conductivity of n-type NbCo(Pt)Sn half-Heusler alloy mediating thermoelectric performance

Ting Luo, Federico Serrano-Sánchez, Hanna Bishara +12

Science-driven design of future thermoelectric materials requires a deep understanding of the fundamental relationships between microstructure and transport properties. Grain bound…

cond-mat.mtrl-sci2021

Understanding alkali contamination in colloidal nanomaterials to unlock grain boundary impurity engineering

Se-Ho Kim, Su-Hyun Yoo, Poulami Chakraborty +10

Metal nano-aerogels combine a large surface area, a high structural stability, and a high catalytic activity towards a variety of chemical reactions. The performance of such nanost…