Conformational Electroresistance and Hysteresis in Nanoclusters

Li, Xiangguo; Zhang, Xiaoguang; Cheng, Hai‐Ping

doi:10.1021/nl5014458

Cited by 8 publications

(3 citation statements)

References 31 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…In a previous work we predicted that some magnetic molecules exhibit distinct self-capacitance in the high-spin and low-spin states . We also found that charging can drive conformational changes to nanoclusters, which leads to a hysteresis in the current–voltage curve in the Coulomb region; the same phenomena was observed in experiments . In this study we calculated the self-capacitance of Ce 3 Mn 8 III and its derivatives.…”

Section: Introductionsupporting

confidence: 68%

Cation Substitution Effect on a Molecular Analogue of Perovskite Manganites

Wang

Zhang

et al. 2017

J. Phys. Chem. C

Self Cite

View full text Add to dashboard Cite

A recently synthesized Mn-containing molecule Ce2 IIICeIVMn8 IIIO8(O2CPh)18(HO2CPh) (Ce3Mn8 III) structurally resembles the repeating unit of a bulk perovskite manganite. This resemblance brings forth the intriguing possibility of studying physical properties and effects that appear in both the molecule and the far more complex bulk perovskites, for example, effects of cation substitution, which in bulk manganites may lead to phase transition from metallic-ferromagnetic to insulating-paramagnetic as well as the colossal magnetoresistance effect. We investigate divalent and trivalent cation substitution in Ce3Mn8 III molecules and its effects on ground-state magnetic configuration using first-principles-based approaches. One MnIII ion changes its valence to MnIV after trivalent (including La, Gd) cation substitution, while four MnIII ions become MnIV upon divalent (including Ca, Sr, Ba, and Pb) cation substitutions, all accompanied by vanishing local Jahn–Teller distortion around MnIV. The valence state of MnIV induced by cation substitutions can hop among Mn sites in molecule, and the calculated energy barrier for such state hopping is 0.25 to 0.6 eV/molecule. In addition, the charging energies of the Ce3Mn8 III molecule and its derivatives are found to be strongly dependent on the spin direction of added electron.

show abstract

Section: Introductionsupporting

confidence: 68%

Cation Substitution Effect on a Molecular Analogue of Perovskite Manganites

Wang

Zhang

et al. 2017

J. Phys. Chem. C

Self Cite

View full text Add to dashboard Cite

show abstract

“…As we know, any cluster deformation can change its energy level, which determines the region of Coulomb blockade voltage. This principle has also been used theoretically in Li's work in a Zn 3 O 4 cluster device [88].…”

Section: Single Electron Transistors (Sets) Based On a Singlementioning

confidence: 96%

Electrical devices designed based on inorganic clusters

Hu¹,

Yan²,

Zhang³

et al. 2022

Nanotechnology

View full text Add to dashboard Cite

The idea of exploring at bottom brink of material science has been carried out for more than two decades. Clusters science is the frontmost studies among all nanoscale structures. Being an example of 0-dimensional quantum dot, nanocluster is serving as the bridge between atomic and conventionally understood solid-state physics. It has been discovered that the forming mechanism of clusters is the parallel effects of electronic and geometric configuration. It is found that electronic shell structure is influencing the properties and geometric structure of the cluster until its size becomes larger where electronic effects submerge in geometric structure. The discrete electronic structures are dependent on the size and conformation of clusters, which can be controlled artificially for the potential device applications. Especially, small clusters with a size of 1-2 nm, whose electronic states are possibly discrete enough to overcome thermal fluctuations, are expected to build single-electron transistor with room-temperature operating. However, exciting as the progress may be seen, the clusters science still falls within the territory of merely the extension of atomic and molecular science. Its production rate limits the scientific and potential application researches of nanoclusters. It is suggested in this review that the mass-produce ability without losing the atomic precision selectivity would be the milestone for nanoclusters to advance to the material science.

show abstract

“…21,26 Switching the dipole moment of an SMM can modify its structural and electronic configuration. 27 There are several dipole-switching mechanisms in different SMMs, including ferroelectric polarization, 28 asymmetric metal electrode screening, 29 carrier trapping/detrapping, 30,31 and dipole−electric field interaction. 32 Intramolecular electron transfer is another way a molecule can switch its dipole moment.…”

Section: Introductionmentioning

confidence: 99%

Dipole Switching by Intramolecular Electron Transfer in Single-Molecule Magnetic Complex [Mn₁₂O₁₂(O₂CR)₁₆(H₂O)₄]

et al. 2022

Self Cite

View full text Add to dashboard Cite

We study intramolecular electron transfer in the single-molecule magnetic complex [Mn 12 O 12 (O 2 CR) 16 (H 2 O) 4 ] for R = -H, -CH 3, -CHCl 2 , -C 6 H 5 , -C 6 H 4 F ligands as a mechanism for switching of the molecular dipole moment. Energetics are obtained using the density functional theory (DFT) with onsite Coulomb energy correction (DFT+U). Lattice distortions are found to be critical for localizing an extra electron on one of the easy sites on the outer ring in which localized states can be stabilized. We find that the lowest energy path for charge transfer is for the electron to go through the center via superexchange mediated tunneling. The energy barrier for such a path ranges from 0.4 meV to 54 meV depending on the ligands and the isomeric form of the complex. The electric field needed to move the charge from one end to the other, thus reversing the dipole moment, is 0.01-0.04 V/Å.

show abstract

Conformational Electroresistance and Hysteresis in Nanoclusters

Cited by 8 publications

References 31 publications

Cation Substitution Effect on a Molecular Analogue of Perovskite Manganites

Cation Substitution Effect on a Molecular Analogue of Perovskite Manganites

Electrical devices designed based on inorganic clusters

Dipole Switching by Intramolecular Electron Transfer in Single-Molecule Magnetic Complex [Mn₁₂O₁₂(O₂CR)₁₆(H₂O)₄]

Contact Info

Product

Resources

About

Conformational Electroresistance and Hysteresis in Nanoclusters

Cited by 8 publications

References 31 publications

Cation Substitution Effect on a Molecular Analogue of Perovskite Manganites

Cation Substitution Effect on a Molecular Analogue of Perovskite Manganites

Electrical devices designed based on inorganic clusters

Dipole Switching by Intramolecular Electron Transfer in Single-Molecule Magnetic Complex [Mn12O12(O2CR)16(H2O)4]

Contact Info

Product

Resources

About

Dipole Switching by Intramolecular Electron Transfer in Single-Molecule Magnetic Complex [Mn₁₂O₁₂(O₂CR)₁₆(H₂O)₄]