Experiments were carried out to grow 3.Nitroaniline (m.NA) crystals doped with 4.Nitroaniline (p.NA) and 2.chloro 4.Nitroaniline (CNA). The measured undercooling for m.NA, p.NA, and CNA were 0.21 tm K, 0.23 tm K and 0.35 tm K respectively, where tm represents the melting temperature of the pure component. Because of the crystals' large heat of fusion and large undercooling, it was not possible ...

A case study on quasi two-dimensional crystals of the serine kinase domain of the giant muscle protein titin is presented. These crystals were obtained from several precipitating agents. However, under all conditions their growth in the third dimension was inhibited resulting in very thin plates, hardly visible under the microscope. Here a number of aspects that have been essential for highreso...

The sophisticated control of surface wettability for target-specific applications has attracted widespread interest for use in a plethora of applications. Despite the recent advances in modification of non-porous materials, surface wettability control of porous materials, particularly single crystalline, remains undeveloped. Here we contribute a general method to impart amphiphobicity on single...

We present methodology ~HBFF/SVD! for optimizing the form and parameters of force fields ~FF! for molecular dynamics simulations through utilizing information about properties such as the geometry, Hessian, polarizability, stress ~crystals!, and elastic constants ~crystals!. This method is based on singular value decomposition ~SVD! of the Jacobian describing the partial derivatives in various ...

Understanding the surface properties of organic-inorganic lead-based perovskites is of high importance to improve the device's performance. Here, we have investigated the differences between surface and bulk optical properties of CH3NH3PbBr3 single crystals. Depth-resolved cathodoluminescence was used to probe the near-surface region on a depth of a few microns. In addition, we have studied the...

We present a large-scale study of the temperature-dependence of structures, free energy differences and properties of polymorphic molecular organic crystals. Lattice-vibrational Gibbs free energy differences between 475 pairs of polymorphs of organic molecular crystals have been calculated at 0 K and at their respective melting points, using a highly accurate anisotropic multipole-based force f...

One-dimensional conductive polymers are attractive materials because of their potential in flexible and transparent electronics. Despite years of research, on the macro- and nano-scale, structural disorder represents the major hurdle in achieving high conductivities. Here we report measurements of highly ordered metal-organic nanoribbons, whose intrinsic (defect-free) conductivity is found to b...

Most materials are crystalline because atoms and molecules tend to form ordered arrangements, and since the interatomic distances are comparable with the wavelength of X-rays, their interaction creates diffraction patterns. The intensity in these patterns changes with crystal quality. Perfect crystals, e.g. semiconductors, fit well to dynamical theory, whereas crystals that reveal the stereoche...

Widely tunable, Fourier-transform-limited pulses of terahertz (THz) radiation have been generated using (i) crystals of the highly nonlinear organic salt 4-N ,N -dimethylamino-4-N -methyl stilbazolium tosylate (DAST), (ii) zinc telluride (ZnTe) crystals, (iii) gallium phosphide (GaP) crystals, and (iv) low-temperature-grown gallium arsenide (LTG-GaAs) photomixers with THz spiral antennas. Outpu...

We present a large-scale study of the temperature-dependence of structures, free energy differences and properties of polymorphic molecular organic crystals. Lattice-vibrational Gibbs free energy differences between 475 pairs of polymorphs of organic molecular crystals have been calculated at 0 K and at their respective melting points, using a highly accurate anisotropic multipole-based force f...