相关论文: Non-benzenoid high-spin polycyclic hydrocarbons ge…

We determined a full 3D atomic structure of a dumbbell-shaped Pt nanoparticle formed by a coalescence of two nanoclusters using deep learning assisted atomic electron tomography. Formation of double twin boundary was clearly observed at the…

We provide a comprehensive theory of magnetic phases in two-dimensional triangulene crystals, using both Hubbard model and density functional theory (DFT) calculations. We consider centrosymmetric and non-centrosymmetric triangulene…

Motivated by recent experiments on Ba$_{3}$Cr$_{2}$O$_8$, a new spin-dimer compound with spin-1/2 moments of Cr$^{5+}$ ions, we theoretically investigate the field-induced magnetic ordering in this material in view of the Bose-Einstein…

The eigenmodes and the vibrational density of states of the ground state configuration of graphene clusters are calculated using atomistic simulations. The modified Brenner potential is used to describe the carbon-carbon interaction and…

A unique attribute of atomically thin quantum materials is the in-situ tunability of their electronic band structure by externally controllable parameters like electrostatic doping, electric field, strain, electron interactions, and…

Development of the methods to exploit nuclear hyperpolarization and search for molecules whose nuclear spins can be efficiently hyperpolarized is an active area in nuclear magnetic resonance. Of particular interest are those molecules that…

We report an experimental and theoretical analysis of the sqrt(3)x sqrt(3)-R30 and 2x2 reconstructions on the NiO (111) surface combining transmission electron microscopy, x-ray photoelectron spectroscopy, and reasonably accurate density…

The molecular dynamics of regioregulated poly(3-hexylthiophene) P3HT is investigated using muon spin relaxation ($\mu$SR). The response of the $\mu$SR spectra to a longitudinal magnetic field ($B_{\rm LF}$, parallel to the initial muon spin…

We predict the formation of intravalley controllable trions in buckled two-dimensional (2D) materials such as silicene, germanene, and stanene monolayers in an external electric field. Performing a study within the framework of a…

We demonstrate ionization of a molecule with the bias voltage of a Scanning Tunnelling Microscope (STM) resulting in a coexistence of a neutral and ionic molecules, i.e. radical (paramagnetic) and non-radical (diamagnetic) states. This…

We investigate the non-equilibrium thermal quantum discord and entanglement of a three-spin chain whose two end spins are respectively coupled to two thermal reservoirs at different temperatures. In the three-spin chain, besides the XX-type…

Two-dimensional carbon nitride materials have been the center of attention for their diverse usage in energy harvesting, environmental remediation and nanoelectronic applications. A broad range of utilities with decent synthetic…

We develop the theoretical formalism and study the formation of valley trions in transition metal dichalcogenide (TMDC) monolayers within the framework of a nonrelativistic potential model using the method of hyperspherical harmonics (HH)…

We present here results of high resolution synchrotron x-ray diffraction (SXRD) and dielectric studies in conjunction with Landau theory considerations on (Pb0.94Sr0.06)(ZrxTi1-x)O3 compositions in the vicinity of the morphotropic phase…

We present a low-energy muon-spin-rotation study of the magnetic and superconducting properties of YBa2Cu3O7/PrBa2Cu3O7 trilayer and bilayer heterostructures. By determining the magnetic-field profiles throughout these structures we show…

Twisted graphene layers produce a moir\'e pattern (MP) structure with a predetermined wavelength for given twist angle. However, predicting the membrane corrugation amplitude for any angle other than pure AB-stacked or AA-stacked graphene…

We report the structural and magnetic properties of the 4}\textit{\textcolor{black}{d }}\textcolor{black}{(M = Rh) based and 5}\textit{\textcolor{black}{d }}\textcolor{black}{(M = Ir) based systems Ba$_{3}$M$_{x}$Ti$_{3-x}$O$_{9}$…

We report the detection of fulvenallene ($c$-C$_5$H$_4$CCH$_2$) in the direction of TMC-1 with the QUIJOTE line survey. Thirty rotational transitions with $K_a$=0,1,2,3 and $J$=9-15 were detected. The best rotational temperature fitting of…

Motivated by the recent experimental detection of superconductivity in Bernal bilayer (AB) and rhombohedral trilayer (ABC) graphene, we study the emergence of superconductivity in multilayer graphene based on a Kohn-Luttinger (KL)-like…

We propose a new type of surfactants, namely, tetrazole derivatives which can be controllably removed from the nanoparticle surface. Tetrazoles are a peculiar class of heterocyclic compounds. The presence of four nitrogen atoms in the…