Surface Dual Metal Occupations in Fe-Doped FeBiO Induce Highly Efficient Photocatalytic CO Reduction.

CO possesses extraordinary thermodynamic stability, and its reduction reaction involves multiple electron-transfer processes. Thus, high-density electron occupation on a catalyst surface is an effective driving force for improving the photocatalytic activity. Here, we report on the fabrication of Fe-doped BiO catalysts (denoted as FeBiO) with different Fe contents using the solvothermal method.

Probing Permanent Dipole Moments and Removing Exciton Fine Structures in Single Perovskite Nanocrystals by an Electric Field.

Single perovskite nanocrystals have emerged as a novel type of semiconductor nanostructure capable of emitting single photons with rich exciton species and fine energy-level structures. Here we focus on single excitons and biexcitons in single perovskite CsPbI_{3} nanocrystals to show, for the first time, how their optical properties are modulated by an external electric field at the cryogenic temperature. The electric field can cause a blueshift in the photoluminescence peak of single excitons, from which the existence of a permanent dipole moment can be deduced.

Polarization-Controlled Surface Defect Formation in a Hybrid Perovskite.

Hybrid perovskites have two properties that are absent in traditional inorganic photovoltaic materials, namely, polarization and mobile ionic defects, the interaction between which may introduce new features into the materials. By using the first-principles calculations, we find that the formation energies of the vacancy defects at a tetragonal MAPbI(110) surface are highly related to the surface polarization. The positive total polarization and local polarization of MA facilitate the formation of surface MA vacancies, whereas the negative total polarization and local polarization of MAI are favorable for the formation of surface iodine vacancies.

Intrinsic interaction between in-plane ferroelectric polarization and surface adsorption.

The chemical properties of a ferroelectric surface are polarization dependent, the underlying nature of which is, however, far from being completely understood. One of the reasons is that when the polarization direction is perpendicular to the surface, the depolarization field may induce electronic or atomic reconstruction and thus change the chemistry of the ferroelectric surface in complicated ways. Instead, the in-plane polarization results in no depolarization field.

Influence of strain on water adsorption and dissociation on rutile TiO2(110) surface.

The influence of externally applied strain on water adsorption and dissociation on a defect-free rutile TiO2(110) surface is studied by using first-principles calculations. We found that while compressive strain makes water adsorption and dissociation less favorable, tensile strain increases the energy gain of water adsorption, and decreases the energy cost of water dissociation. Specifically, dissociative water becomes more stable than molecular water when an 8% tensile in-plane strain is applied.

Active sites and mechanisms for oxygen reduction reaction on nitrogen-doped carbon alloy catalysts: Stone-Wales defect and curvature effect.

Carbon alloy catalysts (CACs) are promising oxygen reduction reaction (ORR) catalysts to substitute platinum. However, despite extensive studies on CACs, the reaction sites and mechanisms for ORR are still in controversy. Herein, we present rather general consideration on possible ORR mechanisms for various structures in nitrogen doped CACs based on the first-principles calculations.

Tuning the area percentage of reactive surface of TiO2 by strain engineering.

Surfaces with high reactivity usually have a low area percentage, which greatly limits the efficiency of surface reactivity. In this Letter we demonstrate a generic way of increasing the percentage of the highly reactive surface by using external strain. Bulk and surface elastic properties of TiO2 are studied via density functional theory calculations.

Self-templating growth of copper nanopearl-chain arrays in electrodeposition.

We report here a unique in-plane self-templating electrochemical growth of arrays of copper nanopearl chains from an ultrathin layer of CuSO4 electrolyte. Scanning electron microscopy indicates that the electrodeposit filaments form equally spaced bundles, which consist of long, straight, pearl-chain-like copper filaments with corrugated periodic structure. The bundle separation can be tuned by changing the applied electric current in electrodeposition.

Interplay between external strain and oxygen vacancies on a rutile TiO2(110) Surface.

Comprehensive first-principle calculations on strained rutile TiO2(110) indicate that the formation energy of different types of oxygen vacancies depends on the external strain. For the unstrained state, the energetically favorable oxygen vacancy (EFOV) appears on the bridging site of the first layer; when 3% tensile strain along [11[over ]0] is applied, EFOV moves to the in-plane site, while 2% compressive strain along either [001] or [11[over ]0] shifts EFOV to the subbridging site. We therefore suggest that the distribution of oxygen vacancies can be engineered by external strain, which may help to improve the applications of a TiO2 surface where oxygen vacancy plays an important role.

Role of interference between localized and propagating surface waves on the extraordinary optical transmission through a subwavelength-aperture array.

We report in this Letter that when radiation is incident on a metal surface perforated with an array of ring-shaped subwavelength apertures, the phase difference between the propagating surface Bloch wave and the localized surface wave can be tailored by the geometrical parameters of the array so as to affect the shape of the transmission spectrum. Above the resonant frequency of the aperture, interference between the two kinds of surface waves leads to a minimum in the transmission spectrum, whereas below it, the interference leads to a maximum. We suggest that this feature provides flexibility in engineering surface-wave-based all-optical devices.

Consecutive rotation of crystallographic orientation in lateral growth.

A consecutive rotation of crystallographic orientation has been observed in lateral crystallization of NH4Cl on a glass substrate, which induces a periodic distribution of faceted and roughened regions on the surface of a crystallite aggregate. Experimental observation indicates that this phenomenon derives from the asymmetric surface energies at the growth front, which deform the nascent nucleus and tilt the crystallographic orientation in the nucleation-mediated layered growth. We suggest that this effect is significant for a class of lateral growth where nucleation plays a dominate role.

Self-assembly of nanometer-scale magnetic dots with narrow size distributions on an insulating substrate.

The self-assembly of iron dots on the insulating surface of NaCl(001) is investigated experimentally and theoretically. Under proper growth conditions, nanometer-scale magnetic iron dots with remarkably narrow size distributions can be achieved in the absence of a wetting layer. Furthermore, both the vertical and lateral sizes of the dots can be tuned with the iron dosage without introducing apparent size broadening, even though the clustering is clearly in the strong coarsening regime.