SearcharxivSearch

arXiv subjects

Yuguang Ma

Publications and source records attributed to Yuguang Ma.

2 recordsLinked to original sources

Discovery of room temperature ferromagnetism in metal-free organic semiconductors

Creating magnetic semiconductors that work at warm circumstance is still a great challenge in the physical sciences. Here, we report the discovery of ferromagnetism in the metal-free perylene diimide semiconductor, whose Curie temperature is higher than 400 Kelvin. A solvothermal approach is used to reduce and dissolve the rigid-backbone perylene diimide crystallites, and radical anion aggregates were fabricated by the subsequent self-assembly and oxidation process. Magnetic measurements exhibit the ferromagnetic ordering with the saturated magnetization of 0.48 $μ_{\rm B}$ per molecule and the appreciable magnetic anisotropy. X-ray magnetic circular dichroism spectra suggest the ferromagnetism stems from $π$ orbitals of radicals. Our findings unambitiously demonstrate the long-range ferromagnetic ordering can survive at room temperature in organic semiconductors, although which are intuitively regarded to be nonmagnetic.

cond-mat.mtrl-sci

Modeling Electrochemical Decomposition of Fluoroethylene Carbonate on Silicon Anode Surfaces in Lithium Ion Batteries

Fluoroethylene carbonate (FEC) shows promise as an electrolyte additive for improving passivating solid-electrolyte interphase (SEI) films on silicon anodes used in lithium ion batteries (LIB). We apply density functional theory (DFT), ab initio molecular dynamics (AIMD), and quantum chemistry techniques to examine excess-electron-induced FEC molecular decomposition mechanisms that lead to FEC-modified SEI. We consider one- and two-electron reactions using cluster models and explicit interfaces between liquid electrolyte and model Li(x)Si(y) surfaces, respectively. FEC is found to exhibit more varied reaction pathways than unsubstituted ethylene carbonate. The initial bond-breaking events and products of one- and two-electron reactions are qualitatively similar, with a fluoride ion detached in both cases. However, most one-electron products are charge-neutral, not anionic, and may not coalesce to form effective Li+-conducting SEI unless they are further reduced or take part in other reactions. The implications of these reactions to silicon-anode based LIB are discussed.

cond-mat.mtrl-sci