Materials Literature
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Combretastatin A-4 (CA4) is highly potent anticancer drug that acts as an inhibitor of tubulin polymerization. The core of the CA4 structure contains a cis-stilbene, and it is known that the trans isomer is significantly less potent. We prepared an azobenzene analog of CA4 (Azo-CA4) that shows 13-35 fold enhancement i…
Computational techniques have the potential to accelerate the design and optimization of nanomaterials for applications such as drug delivery and contaminant removal; however, the success of such techniques requires reliable models of nanomaterial surfaces as well as accurate descriptions of their interactions with re…
With the use of molecular manipulation in a cryogenic scanning tunneling microscope, the structure and rearrangement of sexiphenyl molecules at the buried interface of the organic film with the Cu(110) substrate surface have been revealed. It is shown that a reconstruction of the first monolayer of flat lying molecule…
Controlling of ZnO nanostructures by solute concentration and its effect on growth, structural and optical properties, Kumar, Yogendra, Rana, Amit Kumar, Bhojane, Prateek, Pusty, Manojit, Bagwe, Vivas, Sen, Somaditya, Shirage, Parasharam M
In an ordinary three-dimensional metal the Fermi surface forms a two-dimensional closed sheet separating the filled from the empty states. Topological semimetals, on the other hand, can exhibit protected one-dimensional Fermi lines or zero-dimensional Fermi points, which arise due to an intricate interplay between sym…
In building up composite structures using carbon nanotube (CNT) fibers, the fiber-to-matrix interfacial shear strength (IFSS) is one of the most important issues. Originating from the assembly characteristics of CNT fiber, the IFSS strongly depends on the fiber's twisting level and densification level. Furthermore, th…
In this work we extend, review and jointly discuss earlier experiments conducted by us in hyperaged geological glasses, either in Dominican amber (20 million years old) or in Spanish amber from El Soplao (110 million years old). After characterization of their thermodynamic and elastic properties (using Differential S…
Band gap anomaly is a well-known issue in lead chalcogenides PbX (X=S, Se, Te, Po). Combining ab initio calculations and tight-binding (TB) method, we have studied the band evolution in PbX, and found that the band gap anomaly in PbTe is mainly related to the high onsite energy of Te 5s orbital and the large s-p hoppi…
White light emitting diodes based on III-nitride InGaN/GaN quantum wells currently offer the highest overall efficiency for solid state lighting applications. Although current phosphor-converted white LEDs have high electricity-to-light conversion efficiencies, it has been recently pointed out that the full potential…
From magnetic susceptibility, dielectric permittivity, electric polarization and specific heat measurements we discover spin-induced ferroelectricity and magnetoelectric coupling in Mn3TeO6 and observe two successive magnetic transitions at low temperatures. A non-ferroelectric intermediate magnetic state occurs below…
Topological insulators (TIs) exhibit novel physics with great promise for new devices, but considerable challenges remain to identify TIs with high structural stability and large nontrivial band gap suitable for practical applications. Here we predict by first-principles calculations a two-dimensional (2D) TI, also kn…
When the thickness of metal film approaches the nanoscale, itinerant carriers resonate between its boundaries and form quantum well states (QWSs), which are crucial to account for the film electrical, transport and magnetic properties. Besides the classic origin of particle-in-a-box, the QWSs are also susceptible to t…
Dissociation of gas hydrates below 240 K leads to the formation of a metastable form of water ice, so called cubic ice (Ic). Through its defective nature and small particle size the surface film composed of such material is incapable of creating any significant diffusion barrier. Above 160 K, cubic ice gradually trans…
Using first-principles calculations, we predict a Chern insulating phase in thin films of the ferromagnetic semi-metal GdN. In contrast to previously proposed Chern insulator candidates, which mostly rely on honeycomb lattices, this system affords a great chance to realize the quantum anomalous Hall Effect on a square…
This review is devoted to the application of graphite and graphite composites in science and technology. Structure and electrical properties, as so technological aspects of producing of high strength artificial graphite and dynamics of its destruction are considered. These type of graphite are traditionally used in th…
Optical absorption properties of additively colored in calcium vapor and X-irradiated crystals with tysonite structure, LaF3 and CeF3, were studied in 1.5-5.5 eV energy range. Photobleaching with 1.9 eV light and dichroism of the absorption bands were investigated.The absorption band at 3.75 eV with half width of 1.1…
We investigate electron-phonon coupling in the molecular crystals CH$_4$, NH$_3$, H$_2$O, and HF, using first-principles quantum mechanical calculations. We find vibrational corrections to the electronic band gaps at zero temperature of -1.97 eV, -1.01 eV, -1.52 eV, and -1.62 eV, respectively, which are comparable in…
In a recent experiment, Young et al. [Nature {\bf 505}, 528 (2014)] observed a metal to insulator transition as well as transport through helical edge states in monolayer graphene under a strong, tilted magnetic field. Under such conditions, the bulk is a magnetic insulator which can exhibit metallic conduction throug…
Epitaxially oriented wafer-scale graphene grown directly on semiconducting Ge substrates is of high interest for both fundamental science and electronic device applications. To date, however, this material system remains relatively unexplored structurally and electronically, particularly at the atomic scale. To furthe…
High-purity gold nanoplates are produced by combining seed-mediated growth, atom migration, overgrowth, and anisotropic oxidation. The synthetic control of the thickness as well as the lateral size is realized. The plasmon resonance of the gold nanoplates can be adjusted from the near-infrared to the visible region. T…