arXiv subjects

Aihua Zhang

Publications and source records attributed to Aihua Zhang.

9 recordsLinked to original sources

arXiv2023

On the classical reaction rate and the first-time problems of Brownian motion

We have developed efficient techniques to solve the first-time problems of Brownian motion. Based on a time-scale separation of recrossings, we show that Eyring's transmission coefficient ($κ$) equals to the one ($κ_\mathrm{V}$) corresponding to an absorbing boundary consistent with the transition state theory, which is greater than the one ($κ_\mathrm{K}$) derived by Kramers. We also propose methods for reaction rate determination by analyzing short-time trajectories from the barrier maximum, and discuss the relation to the reactive flux method and the significance of reaction coordinates.

physics.chem-ph↗

arXiv2021

Oil Spill SAR Image Segmentation via Probability Distribution Modelling

Segmentation of marine oil spills in Synthetic Aperture Radar (SAR) images is a challenging task because of the complexity and irregularities in SAR images. In this work, we aim to develop an effective segmentation method which addresses marine oil spill identification in SAR images by investigating the distribution representation of SAR images. To seek effective oil spill segmentation, we revisit the SAR imaging mechanism in order to attain the probability distribution representation of oil spill SAR images, in which the characteristics of SAR images are properly modelled. We then exploit the distribution representation to formulate the segmentation energy functional, by which oil spill characteristics are incorporated to guide oil spill segmentation. Moreover, the oil spill segmentation model contains the oil spill contour regularisation term and the updated level set regularisation term which enhance the representational power of the segmentation energy functional. Benefiting from the synchronisation of SAR image representation and oil spill segmentation, our proposed method establishes an effective oil spill segmentation framework. Experimental evaluations demonstrate the effectiveness of our proposed segmentation framework for different types of marine oil spill SAR image segmentation.

cs.LG↗

arXiv2013

Energy-gap Opening and Quenching in Graphene under Periodic External Potentials

In this paper, we investigated the effects of periodic external potentials on properties of charge carriers in graphene using both the first-principles method based on density functional theory (DFT) and a theoretical approach based on a generalized effective spinor Hamiltonian. DFT calculations were done in a modified Kohn-Sham procedure that includes effects of the periodic external potential. Unexpected energy band gap opening and quenching were predicted for the graphene superlattice with two symmetrical sublattices and those with two unsymmetrical sublattices, respectively. Theoretical analysis based on the spinor Hamiltonian showed that the correlations between pseudospins of Dirac fermions in graphene and the applied external potential, and the potential-induced intervalley scattering, play important roles in energy-gap opening and quenching.

cond-mat.mes-hall↗

arXiv2013

Band gap engineering in graphene and hexagonal BN antidot lattices: A first principles study

Effects of antidot lattices on electronic structures of graphene and hexagonal BN (h-BN) are investigated using the first principles method based on density functional theory. For graphene, we find that when the antidot lattice is along the zigzag direction, the band gap opening can be related to the inter-valley scattering, and does not follow the simple scaling rule previously proposed in literature for the antidot lattice along the armchair direction. For h-BN, our calculations show that the antidot lattice results in reducing of band gaps. Coupled with doping of carbon atoms, the band gap of an h-BN antidot lattice can be reduced to below 2 eV, which might have implications in light-emitting devices or photoelectrochemistry.

cond-mat.mtrl-sci↗

arXiv2012

Electrical transport across metal/two-dimensional carbon junctions: Edge versus side contacts

Metal/two-dimensional carbon junctions are characterized by using a nanoprobe in an ultrahigh vacuum environment. Significant differences were found in bias voltage (V) dependence of differential conductance (dI/dV) between edge- and side-contact; the former exhibits a clear linear relationship (i.e., dI/dV \propto V), whereas the latter is characterized by a nonlinear dependence, dI/dV \propto V3/2. Theoretical calculations confirm the experimental results, which are due to the robust two-dimensional nature of the carbon materials under study. Our work demonstrates the importance of contact geometry in graphene-based electronic devices.

cond-mat.mes-hall↗

arXiv2011

Switching and Rectification of a Single Light-sensitive Diarylethene Molecule Sandwiched between Graphene Nanoribbons

The 'open' and 'closed' isomers of the diarylethene molecule that can be converted between each other upon photo-excitation are found to have drastically different current-voltage characteristics when sandwiched between two graphene nanoribbons (GNRs). More importantly, when one GNR is metallic and another one is semiconducting, strong rectification behavior of the 'closed' diarylethene isomer with the rectification ratio >10^3 is observed. The surprisingly high rectification ratio originates from the band gap of GNR and the bias-dependent variation of the lowest unoccupied molecular orbital (LUMO) of the diarylethene molecule, the combination of which completely shuts off the current at positive biases. Results presented in this paper may form the basis for a new class of molecular electronic devices.

cond-mat.mes-hall↗

arXiv2011

Strain effects on work functions of pristine and potassium-decorated carbon nanotubes

Strain dependence of electronic structures and work functions of both pristine and potassium doped (5,5) (armchair) and (9,0) (zigzag) carbon nanotubes (CNTs) has been thoroughly studied using first-principles calculations based on density functional theory (DFT). We found that for pristine cases, the uniaxial strain has strong effects on work functions of CNTs, and the responses of work functions of CNT (5,5) and (9,0) to the strain are distinctly different. When the strain changes from -10% to +10%, the work function of the CNT (5,5) increases monotonically from 3.95 eV to 4.57 eV, and the work function of the (9,0) varies between 4.27 eV and 5.24 eV in a complicated manner. When coated with potassium, for both CNTs, work functions can be lowered down by more than 2.0 eV, and the strain dependence of work functions changes drastically. Our studies suggested that the combination of chemical coating and tuning of strain may be a powerful tool for controlling work functions of CNTs, which in turn will be useful in future design of CNT-based electronic and field-emitting devices.

cond-mat.mtrl-sci↗

arXiv2011

Bandgap engineering of zigzag graphene nanoribbons by manipulating edge states via defective boundaries

One of severe limits of graphene nanoribbons (GNRs) in future applications is that zigzag GNRs (ZGNRs) are gapless, so cannot be used in field effect transistors (FETs). In this paper, using tight-binding approach and first principles method, we derived and proved a general edge (boundary) condition for the opening of a significant bandgap in ZGNRs with defective edge structures. The proposed semiconducting GNRs have some interesting properties including the one that they can be embedded and integrated in a large piece of graphene without the need of completely cutting them out. We also demonstrated a new type of high-performance all-ZGNR FET.

cond-mat.mes-hall↗

arXiv2006

Spectral Narrowing via Quantum Coherence

We have studied the transmission of an optically thick Rb vapor that is illuminated by monochromatic and noise broaden laser fields in Lambda configuration. The spectral width of the beat signal between the two fields after transmission through the atomic medium is more than 1000 times narrower than the spectral width of this signal before the medium.

quant-ph↗