Exploring how hydrogen at gold–sulfur interface affects spin transport in single-molecule junction
Zeng Jing1, 3, †, Chen Ke-Qiu2, ‡, Zhou Yanhong4
       

(a) [(e)] Atomic sites projected DOS of central molecule in the Mn-TPP-based molecular junction through Au–SR [Au–S(h)R] bonding, and atomic sites projected DOS of (b) [(f)] S, (c) [(g)] Mn, and (d) [(h)] TPP in the Mn-TPP-based molecular junction through Au–SR [Au–S(h)R] bonding.