相关论文: Doped Graphene Quantum Dots UV-Vis Absorption Spec…
Bi$_2$Se$_3$ is one of the most promising topological insulators, but it suffers from intrinsic n-doping due to Se-vacancies, which shifts the Fermi level into the bulk conduction band, leading to topologically trivial carriers. Recently it…
Graphene nanostructures that support surface plasmons have been utilized to create a variety of dynamically tunable light modulators, motivated by theoretical predictions of the potential for unity absorption in resonantly-excited monolayer…
Graphene quantum dots (GQDs) are more promising than other kinds of semiconductor QDs because of their photostability and biocompatibility in different applications such as bioimaging, biosensing and light emitting diodes (LEDs). In…
We studied the photoluminescence (PL) properties of graphene quantum dots (GQDs) separated by size-exclusion high performance liquid chromatography. The size separation of GQDs was confirmed by transmission electron microcopy images. PL…
We have investigated theoretically the adsorption of molecules onto graphene with divacancy defects. Using ab-initio density functional calculations, we have found that O2, CO, N2, B2 and H2O molecules all interact strongly with a divacancy…
Absorption cross-section spectra for gold nanoparticles were calculated using fully quantum Stochastic Density Functional Theory and a classical Finite-Difference Time Domain (FDTD) Maxwell solver. Spectral shifts were monitored as a…
CO adsorption on Cu(111) and Cu(001) surfaces has been studied within ab-initio density functional theory (DFT). The structural, vibrational and thermodynamic properties of the adsorbate-substrate complex have been calculated. Calculations…
The doping of lighter non-metals like boron and nitrogen into graphene represents a promising advancement in the field of nano-electronic devices, particularly in the development of field-effect transistors (FETs). These doped…
In this paper, we perform large-scale electron-correlated calculations of optoelectronic properties of rectangular graphene-like polycyclic aromatic hydrocarbon molecules. Theoretical methodology employed in this work is based upon…
We adopted the time-dependent density functional theory (TDDFT) within the linear augmented Slater-type orbitals (LASTO) basis and the cluster averaging method to compute the {\color{red}excitation} spectra of III-V ternary alloys with…
Coupling of plasmons in graphene at terahert (THz) frequencies with surface plasmons in a heavily-doped substrate is studied theoretically. We reveal that a huge scattering rate may completely damp out the plasmons, so that proper choices…
Modifying the optoelectronic properties of nanostructured materials through introduction of dopant atoms has attracted intense interest. Nevertheless, the approaches employed are often trial and error, preventing rational design. We…
We demonstrate the channeling of fluorescence photons from quantum dots (QDs) into guided modes of an optical nanofiber tip (ONFT). We deposit QDs on the ONFT using micro/nano fluidic technology. We measure the photon-counting and emission…
We have theoretically investigated the electronic and magnetic properties of graphene whose zigzag edges are oxidized. The alteration of these properties by adsorption of $\mathrm{H_{2}O}$ and $\mathrm{NH_3}$ molecules have been considered.…
A thorough understanding of the electronic structure is a necessary first step for the design of nanoelectronics, chemical/bio-sensors, electrocatalysts, and nanoplasmonics using graphene. As such, theoretical spectroscopic techniques to…
We report on spectroscopy results from the mid- to far-infrared on wafer-scale graphene, grown either epitaxially on silicon carbide, or by chemical vapor deposition. The free carrier absorption (Drude peak) is simultaneously obtained with…
Adsorption of molecular oxygen on B-, N-, Al-, Si-, P-, Cr- and Mn-doped graphene is theoretically studied using density functional theory in order to clarify if O2 can change the possibility of using doped graphene for gas sensors,…
Recent results in deeply subwavelength thickness films demonstrated coherent control and logical gate operations with both classical and single photon light sources. However, quantum processing and devices typically involve more than one…
We study the optical properties of small gold chains doped with different transition metal (TM) atoms (Ni,Rh,Fe) by using the time-dependent density-functional theory (TDDFT) approach. The optical absorption spectrum of such systems…
The adsorption of fluorine, chlorine, bromine, and iodine diatomic molecules on graphene has been investigated using density functional theory with taking into account nonlocal correlation effects by means of vdW-DF approach. It is shown…