Structural,Electrical,and Lithium Ion Dynamics of Li2MnO3 from Density Functional Theory

The layered Li2MnO3 is investigated by using the first-principles calculations within the GGA and GGA-t-U scheme, respectively. Within the GGA4-U approach, the calculated intercalation voltage （ranges from 4,5 V to 4.9 V） is found to be in good agreement with experiments. From the analysis of electronic structure, the pure phase Li2MnO3 is insulating, which is indicative of poor electronic-conduction properties. However, further studies of lithium ion diffusion in bulk Li2MnO3 show that unlike the two-dimensional diffusion pathways in rock salt structure layered cathode materials, lithium can diffuse in a three-dimensional pathway in Li2MnO3, with moderate lithium migration energy barrier ranges from 0.57 to 0.63 e V.

Li as a Way to Order: The Intellectual Characteristics and Historical Role of Xun Zi's Theory of Li

To illustrate the overall content and historical significance of Xun Zi＇s political philosophy, this paper proceeds as follows. First, it reviews previous research on ideas of li （ritual and social norms） and discusses why Xun Zi＇s theory of li has been undervalued. Second, it briefly introduces my earlier study of this issue, The Confucian Quest for Order.＂ The Origin and Formation of the Political Thought of Xun Zi. Third, it proposes an analytical framework that highlights the intellectual characteristics and historical role of li in the Xunzi. This framework analyzes li in the broad sense, differentiating between the theory of li, li as an institution and li as a way to the restoration of order. Fourth, it describes some intellectual characteristics of the Xunzi＇s theory of li as a way to order. Based on these discussions, this paper argues that Xun Zi＇s theory of li as a way to order is a political philosophy with a broad vision which goes beyond the framework of a single dynasty or state to cover the history and modes of existence of human society as a whole.

Variational transition state theory study of the reactions Li+HF and Li+HCl on the BO potential energy surfaces

Variational transition state theory is used to study the kinetics of the reactions Li+HF and Li+HCl on the BO potential energy surfaces, fitted to ab initio values by Lagana et al. The saddle point, the location of generalized transition state and other kinetic features on the bottleneck of the po- tential energy surface are obtained. We point out that the location of generalized transition state tends to the direction in which the two atoms with larger reduced mass separate off. It can be determined whether a potential energy surface is accurate or not by a fine analysis of its bottleneck region and a comparison of kinetic calculation with experimental result. This is helpful for building a more accurate potential energy surface.

LIMIT CYCLES OF THE GENERALIZED POLYNOMIAL LINARD DIFFERENTIAL SYSTEMS

Using the averaging theory of first and second order we study the maximum number of limit cycles of generalized Linard differential systems{x = y ＋ εhl1（x） ＋ ε2hl2（x）,y=-x- ε（fn1（x）y（2p＋1） ＋ gm1（x）） ＋ ∈2（fn2（x）y（2p＋1） ＋ gm2（x））,which bifurcate from the periodic orbits of the linear center x = y,y=-x,where ε is a small parameter.The polynomials hl1 and hl2 have degree l;fn1and fn2 have degree n;and gm1,gm2 have degree m.p ∈ N and[·]denotes the integer part function.