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Graphene ripples possess peculiar essential properties owing to the strong chemical bonds, as an investigation using first principle calculations clearly revealed. Various charge distributions, bond lengths, energy bands, and densities of states strongly depend on the corrugation structures, ripple curvatures and periods. Armchair ripples belonging to a zero-gap semiconductor display split middle-energy states, while the zigzag ripples exhibit highly anisotropic energy bands, semi-metallic behavior implicated by the destruction of the Dirac cone, and the newly created critical points.Their density of states exhibit many low-lying prominent peaks and can explain the experimental measurements. There exist certain important similarities and differences between graphene ripples and carbon nanotubes.

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The objective of this paper is to investigate the geometric and electronic properties of shift-dependent bilayer graphene along armchair and zigzag directions using firstprinciple calculations. The interlayer distance and the total ground state energy gradually decrease and subsequently increase during the stacking configuration sequence: AA → AB → AA′ → AA. Furthermore, there are dramatic changes in which Dirac cones are transformed into parabolic bands or nonvertical Dirac cones, accompanied by a separation of the Dirac cones, creation of an arc-shaped stateless region, distorted energy dispersions, extra low-energy critical points, and splitting of middle-energy states. The density of states (DOS) exhibits many prominent peaks derived from saddle points. All the bilayer systems remain semimetals, with their free carrier densities strongly depending on the stacking configuration. The main features of energy bands and DOS can be used to identify the subangstrom misalignment stackings.

In this article, we propose an end-to-end adaptive framework for optimal trade execution based on Proximal Policy Optimization (PPO). We use two methods to account for the time dependencies in the market data based on two different neural network architecture: 1) Long short-term memory (LSTM) networks, 2) Fully-connected networks (FCN) by stacking the most recent limit orderbook (LOB) information as model inputs. The proposed framework can make trade execution decisions based on level-2 limit order book (LOB) information such as bid/ask prices and volumes directly without manually designed attributes as in previous research. Furthermore, we use a sparse reward function, which gives the agent reward signals at the end of each episode as an indicator of its relative performances against the baseline model, rather than implementation shortfall (IS) or a shaped reward function. The experimental results have demonstrated advantages over IS and the shaped reward function in terms of performance and simplicity. The proposed framework has outperformed the industry commonly used baseline models such as TWAP, VWAP, and AC as well as several Deep Reinforcement Learning (DRL) models on most of the 14 US equities in our experiments.

Hydrogenated silicenes possess peculiar properties owing to the strong H-Si bonds, as revealed by an investigation using first principles calculations. Various charge distributions, bond lengths, energy bands, and densities of states strongly depend on different hydrogen configurations and concentrations. The competition between strong H-Si bonds and weak sp(3) hybridization dominate the electronic properties. Chair configurations belong to semiconductors, while the top configurations show a nearly dispersionless energy band at the Fermi level. Both the systems display H-related partially flat bands at middle energy and the recovery of low-lying π bands during the reduction of concentration. Their densities of states exhibit prominent peaks at middle energy, and the top systems have a delta-funtion-like peak at E = 0. The intensity of these peaks is gradually weakened as the concentration decreases, providing an effective method to identify the H-concentration in scanning tunneling spectroscopy experiments.

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The electronic properties of hydrogenated graphenes are investigated with the first-principles calculations. Geometric structures, energy bands, charge distributions, and density of states (DOS) strongly depend on the different configurations and concentrations of hydrogen adatoms. Among three types of optimized periodical configurations, only in the zigzag systems the band gaps can be remarkably modulated by H-concentrations. There exist middle-gap semiconductors, narrow-gap semiconductors, and gapless systems. The band structures exhibit the rich features, including the destruction or recovery of the Dirac-cone structure, newly formed critical points, weakly dispersive bands, and (C,H)-related partially flat bands. The orbitalprojected DOS are evidenced by the low-energy prominent peaks, delta-function-like peaks, discontinuous shoulders, and logarithmically divergent peaks. The DOS and spatial charge distributions clearly indicate that the critical bondings in C-C and C-H is responsible for the diversified properties.