Adsorption-Site- and Orientation-Dependent Magnetism of a Molecular Switch on Pb(100) DOI Creative Commons
Arnab Banerjee,

Niklas Ide,

Yan Lü

et al.

ACS Nano, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 14, 2025

Tin phthalocyanine (SnPc) has been studied on superconducting Pb(100) using scanning tunneling microscopy and spectroscopy. Isolated molecules adsorb with their Sn ion below (SnPc↓) or above (SnPc↑) the molecular plane. These geometries lead to different adsorption sites, orientations, energies of frontier orbitals. A transition from SnPc↑ SnPc↓ can be induced by extracting electrons a single molecule. Density functional theory (DFT) calculations reproduce observed indicate that positive charge facilitates ↑–↓ transition. The orientations are essentially determined σ-orbitals peripheral N atoms exhibit minimum distances lone pairs nearest Pb substrate atoms. This binding scheme, which implies direct relationship between site orientation, is consistent many previous observations other substrates. In islands, forced onto less favorable sites. leads strong Yu–Shiba–Rusinov state at top sites revealing an spin. Similarly, spin hollow quenched conversion SnPc↓. calculated lowest unoccupied orbital these spin-state transitions.

Language: Английский

Single-Atom Nanoarchitectonics for Robotics and Other Functions DOI Creative Commons
Anna Jančík Procházková, Katsuhiko Ariga

ACS Sustainable Chemistry & Engineering, Journal Year: 2025, Volume and Issue: unknown

Published: May 2, 2025

Language: Английский

Citations

0
Adsorption-Site- and Orientation-Dependent Magnetism of a Molecular Switch on Pb(100) DOI Creative Commons
Arnab Banerjee,

Niklas Ide,

Yan Lü

et al.

ACS Nano, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 14, 2025

Tin phthalocyanine (SnPc) has been studied on superconducting Pb(100) using scanning tunneling microscopy and spectroscopy. Isolated molecules adsorb with their Sn ion below (SnPc↓) or above (SnPc↑) the molecular plane. These geometries lead to different adsorption sites, orientations, energies of frontier orbitals. A transition from SnPc↑ SnPc↓ can be induced by extracting electrons a single molecule. Density functional theory (DFT) calculations reproduce observed indicate that positive charge facilitates ↑–↓ transition. The orientations are essentially determined σ-orbitals peripheral N atoms exhibit minimum distances lone pairs nearest Pb substrate atoms. This binding scheme, which implies direct relationship between site orientation, is consistent many previous observations other substrates. In islands, forced onto less favorable sites. leads strong Yu–Shiba–Rusinov state at top sites revealing an spin. Similarly, spin hollow quenched conversion SnPc↓. calculated lowest unoccupied orbital these spin-state transitions.

Language: Английский

Citations

0