TY  - JOUR
AU  - Yu, Yuan
AU  - Wuttig, Matthias
TI  - Metavalent bonding impacts charge carrier transport across grain boundaries
JO  - Nano research energy
VL  - 2
SN  - 2791-0091
CY  - Beijing
PB  - Tsinghua University Press
M1  - FZJ-2023-01415
SP  - e9120057 -
PY  - 2023
AB  - Understanding the mechanisms underpinning the charge carrier scattering at grain boundaries is crucial to design thermoelectrics and other electronic materials. Yet, this is a very challenging task due to the complex characteristics of grain boundaries and the resulting difficulties in correlating grain boundary structures to local properties. Recent advances in characterizing charge transport across grain boundaries are reviewed, demonstrating how the microstructure, composition, chemical bonding and electrical properties of the same individual grain boundary can be correlated. A much higher potential barrier height is observed in high-angle grain boundaries. This can be ascribed to the larger number density of deep trapping states caused by the local collapse of metavalent bonding. A novel approach to study the influence of the local chemical bonding mechanism around defects on the resulting local properties is thus developed. The results provide insights into the tailoring of electronic properties of metavalently bonded compounds by engineering the characteristics of grain boundaries.
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:001494133100001
DO  - DOI:10.26599/NRE.2023.9120057
UR  - https://juser.fz-juelich.de/record/1005303
ER  -