To create a high-performance lithium-ion battery, a new anode material is needed. We study the structure, dynamics, and mechanical properties of a promising anode silicene/graphite material subjected to the transmutation neutron doping. The motion of the lithium ion under electric field along a silicene channel located on a graphite substrate was studied. The concentration of phosphorus in the walls of the silicene channel varied from 3% up to 18%. The concentration of nitrogen in the graphite substrate was 5%. Both the gap and the amount of phosphorus in the channel walls affect the nature of the movement of the lithium ion through the channel. As a rule, the strong stresses in the silicene sheets are not observed during the movement of the Li⁺ ion along the channel. The maximum values of local stresses arising in the walls of the channel turn out to be slightly sensitive both to the degree of doping of silicene and to the size of the channel gap. The top sheet of the silicene channel always has a larger roughness than the bottom one. To use silicene in a lithium-ion battery, the maximum doping degree of silicene with phosphorus should not exceed 9%.

为了制造高性能的锂离子电池，需要一种新的负极材料。我们研究了中子掺杂trans变的有希望的阳极硅碳烯/石墨材料的结构，动力学和机械性能。研究了锂离子在电场下沿着位于石墨基板上的硅通道的运动。硅通道壁中的磷浓度从3％到18％不等。石墨基板中的氮浓度为5％。通道壁中的间隙和磷含量都会影响锂离子通过通道的运动性质。通常，在Li ⁺的运动过程中不会观察到硅片中的强应力。离子沿着通道。事实证明，在沟道壁中产生的局部应力的最大值对硅的掺杂程度和沟道间隙的大小都稍有敏感。硅树脂通道的顶层总是比底层的粗糙度更大。为了在锂离子电池中使用硅树脂，硅树脂中磷的最大掺杂度不应超过9％。