<strong>MoS<sub>2</sub>/RGO</strong>复合材料的电化学性能和第一性原理研究

MoS₂/RGO复合材料的电化学性能和第一性原理研究

祝玉婷, 闫共芹, 林羽芊

Electrochemical properties and First-principles study of MoS₂/rGO composite

Yuting ZHU, Gongqin YAN, Yuqian LIN

表2 各模型吸附Li⁺ 时的吸附能 (eV)

Table 2 The adsorption energy of each model for Li⁺ adsorption

模型

T(Mo)

T(S)

T(C)

B(Mo—S)

B(C—C)

H

I

B

MoS₂

-1.9403

-1.2722

—

-1.9414

-1.8105

—

—

MoS₂/RGO

—

—

-1.0905

-1.3212

-1.498

-2.3431

-1.9947