相关论文: Non-benzenoid high-spin polycyclic hydrocarbons ge…
The formation of double and triple C-C bonds from the processing of pure c-C6H12 (cyclohexane) and mixed H2O:NH3:c-C6H12 (1:0.3:0.7) ices by highly-charged, and energetic ions (219 MeV O^{7+} and 632 MeV Ni^{24+}) is studied. The…
Hydrogenated graphene, graphane, is studied on oxygen-terminated silicon dioxide substrate using ab initio calculations. A structure with hydrogenation only on one side of the graphene layer is found stable and its hydrogen configurations…
Phenalenyl (C$_{13}$H$_9$) is an open-shell spin-$1/2$ nanographene. Using scanning tunneling microscopy (STM) inelastic electron tunneling spectroscopy (IETS), covalently-bonded phenalenyl dimers have been shown to feature conductance…
It has been predicted theoretically that an unconventional odd-frequency spin-triplet component of superconducting order parameter can be induced in multilayered ferromagnetic structures with non-collinear magnetization. In this work we…
Heterostructures composed of ferromagnetic La0.7Sr0.3MnO3, ferromagnetic SrRuO3, and superconducting YBa2Cu3Ox were studied experimentally. Structures of composition Au/La0.7Sr0.3MnO3/SrRuO3/YBa2Cu3Ox were prepared by pulsed laser…
We demonstrate that the effective spin-exchange coupling $J$ in open-shell nanographene dimers can be precisely tuned via tip-induced dehydrogenation of selected carbon atoms. Using the double ionization potential equation-of-motion…
Investigation of intermolecular electron spin interaction is of fundamental importance in both science and technology.Here, radical pairs of all-trans retinoic acid molecules on Au(111) are created using an ultra-low temperature scanning…
The synthesis, infra-red, Raman and NMR spectra and crystal structure of 2, 4, 4- trimethyl-4, 5- dihydro-3H-benzo[b] [1, 4] diazepin-1-ium tetrachlorocadmate, [C12H17N2]2CdCl4 and benzene-1,2-diaminium decachlorotricadmate(II)…
Spin-1/2 Heisenberg antiferromagnetic chains are excellent one-dimensional platforms for exploring quantum magnetic states and quasiparticle fractionalization. Understanding its quantum magnetism and quasiparticle excitation at the atomic…
Motivated by a recent experiment [J. W. A. Robinson, J. D. S. Witt and M. G. Blamire, Science, \textbf{329}, 5987 (2010)], we here study the possibility of establishing a long-range spin-triplet supercurrent through an inhomogeneous…
The reaction between carbon atoms and vinyl cyanide, CH2CHCN, is a formation route to interstellar 3-cyano propargyl radical, CH2C3N, a species that has recently been discovered in space. The 1-cyano propargyl radical (HC3HCN), an isomer of…
Present routes to produce magnetic organic-based materials adopt a common strategy: the use of magnetic species (atoms, polyradicals, etc.) as building blocks. We explore an alternative approach which consists of selective hydrogenation of…
We investigate from first principles a variety of low-dimensional open quantum spin systems based on magnetic nanographene structures that contain spin-1/2 and spin-1 triangulenes and/or olympicenes. These graphene nanostructures behave as…
This dissertation studies spin squeezing, entanglement and decoherence in large ensembles of cold, trapped alkali atoms with hyperfine spin f interacting with optical fields. Restricting the state of each atom to a qutrit embedded in the…
We study all-carbon-hydrogen molecular transistors where zigzag graphene nanoribbons play the role of three metallic electrodes connected to a ring-shaped 18-annulene molecule. Using the nonequilibrium Green function formalism combined with…
Single-layer $\it{h}$-BN is known to have edges with unique magnetism, however, in the commonly fabricated multilayer $\text{AA}^{\prime}$-$\it{h}$-BN, edge relaxations occur that create interlayer bonds and eliminate the unpaired electrons…
One of the key challenges for spintronic and novel quantum technologies is to achieve active control of the spin angular momentum of electrons in nanoscale materials on ultrafast, femtosecond timescales. While conventional ferromagnetic…
Fractionalization is a phenomenon in which strong interactions in a quantum system drive the emergence of excitations with quantum numbers that are absent in the building blocks. Outstanding examples are excitations with charge e/3 in the…
We show that the origin of the antiferromagnetic coupling in spin-1 triangulene chains, which were recently synthesized and measured by Mishra et al. Nature 598, 287-292 (2021) originates from a superexchange mechanism. This process,…
Hybrid systems composed of a single nitrogen-vacancy center spin magnetically coupled to a macroscopic mechanical resonator constitute promising platforms for the realization of quantum information protocols and for quantum sensing…