Metal Atom
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2022 ◽  
Vol 452 ◽  
pp. 214298
Author(s):  
Vasudha Hasija ◽  
Shilpa Patial ◽  
Pankaj Raizada ◽  
Aftab Aslam Parwaz Khan ◽  
Abdullah M. Asiri ◽  
...  

Author(s):  
Kento Minamikawa ◽  
Shun Sarugaku ◽  
Masashi Arakawa ◽  
Akira Terasaki

Correction for ‘Electron counting in cationic and anionic silver clusters doped with a 3d transition-metal atom: endo- vs. exohedral geometry’ by Kento Minamikawa et al., Phys. Chem. Chem. Phys., 2022, DOI: 10.1039/d1cp04197e.


Author(s):  
Shunta Watanabe ◽  
Yoko Tomita ◽  
Kohei Kawabata ◽  
Takashi NAKAYAMA

Abstract Metal-atom contamination often induces the degradation of organic molecular devices. In this work, we studied clustering feature of Au and Al impurity metal atoms in pentacene solids by the first-principles calculations. We found that Au atoms prefer to produce clusters in a molecule-edge space due to the strong bonding among Au atoms, and such clusters can increase their sizes by producing molecule vacancies. On the other hand, Al atom prefers to locate separately around the center of pentacene molecules due to the strong bonding between Al atom and surrounding molecules, which produces the scattering distribution of Al atoms in pentacene solids.


2021 ◽  
pp. 2102715
Author(s):  
Angus Pedersen ◽  
Jesús Barrio ◽  
Alain Li ◽  
Rhodri Jervis ◽  
Dan J. L. Brett ◽  
...  
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