Mechanically-Controlled Reversible Spin Crossover of Single Fe-Porphyrin Molecules

Kuang, Guowen1; Zhang, Qiushi1; Lin, Tao1; Pang, Rui2; Shi, Xingqiang2; Xu, Hu2; Lin, Nian1

2017-06

10.1021/acsnano.7b02567

ACS Nano   影响因子和分区

1936-0851

1936-086X

Spin-crossover (SCO) molecules are thought to be ideal systems for molecular spintronics when SCO can be precisely controlled at the single-molecule level. This is demonstrated here in the single-molecule junctions of Fe-porphyrin formed in a scanning tunneling microscope. Experimentally, we find that the junctions feature a zero bias resonance in molecular conductance associated with the. Fe spin center. When mechanically stretching or squeezing the junctions by adjusting the tip height, the line shape of the zero-bias resonance varies reversibly. First-principles calculations reveal that widening the junction gap by 2 A transforms the macrocyclic core hosting the Fe center from a saddle to a planar conformation. This conformational Change shortens the Fe-N bonds by 3%, which changes the Fe spin state from S = 2 to S = 1.

density-functional theory Fe-porphyrin scanning tunneling microscopy single-molecule junction spin crossover

SCI ; EI

英语

NI期刊

其他

Hong Kong Research Grants Council[16301415] ; Hong Kong Research Grants Council[600111]

Chemistry ; Science & Technology - Other Topics ; Materials Science

Chemistry, Multidisciplinary ; Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary

WOS:000404808000112

AMER CHEMICAL SOC

20172703874711

Calculations ; Conformations ; Density functional theory ; Iron ; Iron compounds ; Molecules ; Porphyrins ; Scanning tunneling microscopy

Iron:545.1 ; Physical Chemistry:801.4 ; Organic Compounds:804.1 ; Mathematics:921 ; Atomic and Molecular Physics:931.3

Web of Science

1.Hong Kong Univ Sci & Technol, Dept Phys, Hong Kong, Hong Kong, Peoples R China
2.Southern Univ Sci & Technol China, Dept Phys, Shenzhen 518055, Guangdong, Peoples R China

Kuang, Guowen,Zhang, Qiushi,Lin, Tao,et al. Mechanically-Controlled Reversible Spin Crossover of Single Fe-Porphyrin Molecules[J]. ACS Nano,2017,11(6):6295-6300.

Kuang, Guowen.,Zhang, Qiushi.,Lin, Tao.,Pang, Rui.,Shi, Xingqiang.,...&Lin, Nian.(2017).Mechanically-Controlled Reversible Spin Crossover of Single Fe-Porphyrin Molecules.ACS Nano,11(6),6295-6300.

Kuang, Guowen,et al."Mechanically-Controlled Reversible Spin Crossover of Single Fe-Porphyrin Molecules".ACS Nano 11.6(2017):6295-6300.