A key requirement for the implementation of molecular quantum dot cellular automata(mQCA)is the ordered attachment of molecules on surfaces.In this work we explore by means of state-of-the art quantum chemistry calcul...A key requirement for the implementation of molecular quantum dot cellular automata(mQCA)is the ordered attachment of molecules on surfaces.In this work we explore by means of state-of-the art quantum chemistry calculations different aspects of the deposition of a mixed-valence Ru2+complex on Au(111),underlined as a promising component in mQCA.展开更多
基金support through grant PGC2018-101689-B-I00 funded by MCIN/AEI/10.13039/501100011033。
文摘A key requirement for the implementation of molecular quantum dot cellular automata(mQCA)is the ordered attachment of molecules on surfaces.In this work we explore by means of state-of-the art quantum chemistry calculations different aspects of the deposition of a mixed-valence Ru2+complex on Au(111),underlined as a promising component in mQCA.