相关论文: Non-Covalent Dimerization after Enediyne Cyclizati…
We investigate the quantum and thermal phase diagram of fermionic polar molecules loaded in a bilayer trapping potential with perpendicular dipole moment. We use both a BCS theory approach that is most realiable at weak-coupling and a…
In this paper, a topological superfluid phase with Chern number C=1 possessing gapless edge states and non-Abelian anyons is designed in a C=1 topological insulator proximity to an s-wave superfluid on an optical lattice with the effective…
Developing efficient and universal polymer crosslinking strategies is pivotal for advanced material design, especially for challenging matrixes like polyethylene, polypropylene, and polystyrene. Traditional crosslinkers such as…
The first non-covalent functionalization of black phosphorus (BP) is presented. The treatment of BP with electron- withdrawing 7,7,8,8-tetracyano-p-quinodimethane (TCNQ) leads to electron transfer from BP to the organic dopant. On the other…
The non-covalent functionalisation of graphene is an attractive strategy to alter the surface chemistry of graphene without damaging its superior electrical and mechanical properties. Using the facile method of aqueous-phase…
We investigate condensation of a long confined chiral nematic polymer inside a spherical enclosure, mimicking condensation of DNA inside a viral capsid. The Landau-de Gennes nematic free energy {\sl Ansatz} appropriate for nematic polymers…
A series of non-symmetric dimers were synthesised containing either cyanobiphenyl or difluoroterphenyl moieties on one side and a range of long, short, bent, polar or apolar mesogens on the other side of the molecules. The dielectric…
Low-frequency simulations of a one-layer model with lateral buoyancy variations (i.e., thermodynamically active) have revealed circulatory motions resembling quite closely submesoscale observations in the surface ocean rather than…
The glass transition temperature and relaxation dynamics of the segmental motions of thin films of polystyrene labeled with a dye, 4-[N-ethyl-N-(hydroxyethyl)]amino-4-nitraozobenzene (Disperse Red 1, DR1) are investigated using dielectric…
This study aims to elucidate the adsorption and surface chemistry of N-methylaniline (NMA) on Pt(111), using it as a model molecule to probe the activation mechanisms of aromatic amines on catalytic surfaces. Through a combination of…
By using the method of density-matrix renormalization-group to solve the different spin-spin correlation functions, the nearest-neighbouring entanglement(NNE) and next-nearest-neighbouring entanglement(NNNE) of one-dimensional alternating…
We develop a model to describe the force generated by the polymerization of an array of parallel biofilaments. The filaments are assumed to be coupled only through mechanical contact with a movable barrier. We calculate the filament density…
We present tight binding molecular dynamics simulations of C_60 collisions on the reconstructed diamond(111) surface, carried out with an O(N) method and with cells containing 1140 atoms. The results of our simulations are in very good…
A central theme in chemistry is the understanding of the mechanisms that drive chemical transformations. A well-known, highly cited mechanism in organometallic chemistry is the superexchange mechanism in which unpaired electrons on two or…
The activation and subsequent covalent coupling of polycyclic aromatic hydrocarbons (PAHs) are of great interest in fields like chemistry, energy, biology, or health, among others. However, this is not a trivial process. So far, it is based…
We present a study on buckling of colloidal particles, including experimental, theoretical and numerical developments. Oil-filled thin shells prepared by emulsion templating show buckling in mixtures of water and ethanol, due to dissolution…
We numerically study the dynamics of Faraday waves in a pancake-shaped Bose--Einstein condensate (BEC) subject to periodic modulation of the interaction. After the modulation starts, Faraday waves appear and, thereafter, the BEC enters the…
In a preceding work [M. Lang, K. Kumar, A simple and general approach for reversible condensation polymerization with cyclization, Macromolecules 54 (2021) 7021], we have introduced a simple recursive scheme that allows to treat stepwise…
We study the electro-hydrodynamics of the Debye screening layer that arises in an aqueous binary solution near a planar insulating wall when applying a spatially modulated AC-voltage. Combining this with first order perturbation theory we…
We consider binary suspension of rough, circular particles in two dimensions under athermal conditions. The mean density of the system is kept constant. The suspension is subject to a time-independent external drive in response to which one…