Rise of silicene: A competitive 2D material

Carbon-based nanomaterials include fullerenes, carbon nanotubes, graphene and its derivatives, graphene oxide, nanodiamonds, and carbon-based quantum dots. Due to their unique structural dimensions and excellent mechanical, electrical, thermal, optical and chemical properties, these materials have attracted significant interest in diverse areas, including biomedical applications. Among them, there has been recent focus on the imaging of cells and tissues and the delivery of therapeutic molecules for disease treatment and tissue repair. The broad-range one-photon property of carbon based-nanomaterials together with their biocompatibility and ease of functionalization has made them candidate imaging agents for tumor diagnosis. In particular, the intrinsic two-photon fluorescence property of carbon based-nanomaterials in the long wavelength region (near-infrared II) allows deep-tissue optical imaging. This review highlights the recent development on carbon based-nanomaterials in the field of one-photon and two-photon imaging and discusses their possible and promising diagnostic and therapeutic applications for the treatment of various diseases including cancer.

Carbon-based nanomaterials as an emerging platform for theranostics

Graphene is considered as one of the most promising materials in a wide range of applications because of its outstanding electronic, optical, thermal, and mechanical properties. Given its large specific surface area, two-dimensional structure, facile decoration, and high adsorption capacity, numerous graphene-based nanomaterials with unprecedented characteristics have been designed, prepared, and applied in catalysis. In this article, we first reviewed common synthetic methods to prepare graphene-based catalysts followed by critical comments and possible solutions. We then briefly summarized the characterization techniques that were relevant to catalysis applications and their applications in energy conversion, environmental protection, and several other typical fields. Finally, we discussed the challenges and opportunities for the future development of graphene-based nanomaterials in sustainable catalysis. This review provides key information to the catalysis community to design and fabricate graphene-ba...

Graphene-Based Nanomaterials for Catalysis

Inspired by the success of graphene, various two dimensional (2D) structures in free standing (FS) (hypothetical) form and on different substrates have been proposed recently. Silicene, a silicon counterpart of graphene, is predicted to possess massless Dirac fermions and to exhibit an experimentally accessible quantum spin Hall effect. Since the effective spin-orbit interaction is quite significant compared to graphene, buckling in silicene opens a gap of 1.55 meV at the Dirac point. This band gap can be further tailored by applying in plane stress, an external electric field, chemical functionalization and defects. In this topical theoretical review, we would like to explore the electronic, magnetic and optical properties, including Raman spectroscopy of various important derivatives of monolayer and bilayer silicene (BLS) with different adatoms (doping). The magnetic properties can be tailored by chemical functionalization, such as hydrogenation and introducing vacancy into the pristine planar silicene. Apart from some universal features of optical absorption present in all these 2D materials, the study on reflectivity modulation with doping (Al and P) concentration in silicene has indicated the emergence of some strong peaks having the robust characteristic of a doped reflective surface for both polarizations of the electromagnetic (EM) field. Besides this, attempts will be made to understand the electronic properties of silicene from some simple tight-binding Hamiltonian. We also point out the importance of shape dependence and optical anisotropy properties in silicene nanodisks and establish that a zigzag trigonal possesses the maximum magnetic moment. We also suggest future directions to be explored to make the synthesis of silicene and its various derivatives viable for verification of theoretical predictions. Although this is a fairly new route, the results obtained so far from experimental and theoretical studies in understanding silicene have shown enough significant promising features to open a new direction in the silicon industry, silicon based nano-structures in spintronics and in opto-electronic devices.

A theoretical review on electronic, magnetic and optical properties of silicene.

The electronic, magnetic, and optical properties of boron- and nitrogen-doped graphyne have been investigated with various doping positions and concentrations of boron and nitrogen atoms We have explored how the presence of a single dopant atom changes the conductivity of doped graphyne from the semiconducting to metallic one The boron atom at the chain site introduces spin polarization which is in the ferromagnetic (FM) ground state for minimal boron concentration and in the antiferromagnetic (AFM) ground state for an increasing number of boron atoms in the unit cell We have examined the origin of spin polarization which increases with increasing dopant concentration Our optical spectra show that the interband transition takes place in the low energy regime Due to the presence of dopant atom, the absorption spectra extend from the infrared region to the UV region and exhibit a strong peak The reflectivity and energy loss spectra derived the plasmon energy for these systems where the reflectivity di

The Effect of Boron and Nitrogen Doping in Electronic, Magnetic, and Optical Properties of Graphyne

Here we study the optical properties of two dimensional pure, as well as doped, buckled silicene nanosheets using density functional theory in the long wavelength limit. Optical properties were studied by varying the concentration of substituted aluminium (Al), phosphorus (P) and aluminium–phosphorus (Al–P) atoms in silicene nanosheets. It has been observed that unlike graphene, no new electron energy loss spectra (EELS) peak occurs irrespective of doping type for parallel polarization. However, for perpendicular polarization two new, small yet significant, EELS peaks emerge for P doping. The origin of these new EELS peaks may be explained through the buckling effect of stable silicene. In addition, the calculations have revealed that the maximum values of the absorption coefficient of the doped system are higher than the pristine one. The study on reflectivity modulation with doping concentration has indicated the emergence of some strong peaks having the robust characteristic of a doped reflective surface for both polarizations of the electromagnetic field. Moreover, for all doped systems, the reflectivity modulation is restricted to low energy ( 8 eV) for parallel and perpendicular polarization respectively. Although no significant changes are noticed in the maximum values of optical conductivity with doping concentration in perpendicular polarization, a sudden jump appears for the Al–P codoped system at an 18.75% doping concentration. All these theoretical observations are expected to shed light on fabricating opto-electronic devices using silicene as the block material.

Optical properties of P and Al doped silicene: a first principles study

Size dependent magnetic and optical properties in diamond shaped graphene quantum dots: A DFT study

The dependence of the stability of single-layer graphene (SLG) sandwiched between hexagonal boron nitride bilayers (h-BN) has been described and investigated for different types of stacking in order to provide the fingerprint of the stacking order which affects the optical properties of such trilayer systems. Considering the four stacking models AAA-, AAB-, ABA-, and ABC-type stacking, the static dielectric functions (in case of parallel polarizations) for AAB-type stacking possesses maximum values, and minimum values are noticed for AAA. However, AAA-type stacking structures contribute the maximum magnetic moment while vanishing magnetic moments are observed for ABA and ABC stacking. The observed optical anisotropy and magnetic properties of these trilayer heterostructures (h-BN/SLG/h-BN) can be understood from the crystallographic stacking order and inherent crystal lattice symmetry. These optical and magnetic results suggest that the h-BN/SLG/h-BN could provide a viable route to graphene-based opto-electronic and spintronic devices.

A first principles approach to magnetic and optical properties in single-layer graphene sandwiched between boron nitride monolayers

Graphyne, another similar structure of graphene, consists of double-and triple-bonded units of 
carbon atoms. The presence of triple bonds in graphyne can have intriguing features, having other 
geometry instead of hexagonal as possessed by graphene.

Ritwika Das

Papers

Optical properties of P and Al doped silicene: a first principles study

Size dependent magnetic and optical properties in diamond shaped graphene quantum dots: A DFT study

A first principles approach to magnetic and optical properties in single-layer graphene sandwiched between boron nitride monolayers

- Electronic and Optical Properties of Boron- and Nitrogen-Functionalized Graphene Nanosheet

A review on bioinformatics advances in CRISPR-Cas technology