As typical 2D materials, VSe2 and MoSe2 both
play a complementary role in Li/Na/K storage. Therefore, we designed
and optimized the VSe2/MoSe2 heterostructure
to gain highly efficient Li/Na/K-ion batteries. Most importantly,
achieving fast Li/Na/K-ion diffusion kinetics in the interlayer of
VSe2/MoSe2 is a key point. First of all, first-principles
calculations were carried out to systematically investigate the packing
structure, mechanical properties, band structure, and Li/Na/K storage
mechanism. Our calculated results suggest that a large interlayer
spacing (3.80 Å), robust structure, and metallic character pave
the way for achieving excellent charge–discharge performance
for the VSe2/MoSe2 heterostructure. Moreover,
V and Mo ions both suffer a very mild redox reaction even if Li/Na/K
ions fill the interlayer space. These structures were all further
verified to show thermal stability (300 K) by means of the AIMD method.
By analyzing the Li/Na/K diffusion behavior and the effect of vacancy
defect on the structural stability and energy barrier for Li interlayer
diffusion, it is found that the VSe2/MoSe2 heterostructure
exhibits very low-energy barriers for Na/K interlayer diffusion (0.21
eV for Na and 0.11 eV for K). Compared with the VSe2/MoSe2 heterostructure, the V0.92Se1.84/MoSe2 heterostructure not only can still maintain a stable structure
and metallic character but also has much lower energy barrier for
Li interlayer diffusion (0.07 vs 0.48 eV). These
discoveries also break new ground to eliminate the obstacles preventing
Li+ diffusion in the interlayer of other heterostructure
materials. Besides, both VSe2/MoSe2 and V0.92Se1.84/MoSe2 heterostructures have
low average open-circuit voltage (OCV) values during Li/Na/K interlayer
diffusion (1.07 V for V0.92Se1.84/MoSe2
vs Li+, 0.86 V for VSe2/MoSe2
vs Na+, and 0.54 V for VSe2/MoSe2
vs K+), such
low OCV values are beneficial for anode materials with excellent electrochemical
properties. The above findings offer a new route to design anode materials
for Li/Na/K-ion batteries.
In this paper, we conduct research on the game theory and the logic optimization and the applications on construction of China's new energy subsidy system. The management of energy and the general optimization of energy structure play an important role in the development of the national economy and the upgrading of industrial structure. Therefore, it is the inevitable choice to build a well-off society in an all-round way. The energy projects management in tradition adopts way from bottom to top, namely from the floor of project management starts to collect the data, progressive upward transmission to the high-level, after analysis carries on the management and control to the project, this method had guaranteed the project pays according to progress, quality, cost and other requests, in view of the management of single project. This paper integrates the game theory and the logic optimization to construct the revised system that will be meaningful.
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