Organic　polymers　have　the　potential　to　be　electrode　materials　for　lithium-ion　batteries　due　to　their　lower　solubility,　lower　self-discharge　rates,　high　mechanical　strength,　greater　flexibility,　superior　thermal　stability,　and　versatility.　In　this　paper,　the　density　functional　theory　(DFT)　was　applied　to　investigate　industrial　polymers　as　electrode　materials　for　lithium-ion　batteries.　The　charge/discharge　potentials　of　reported　polymer　electrode　materials　for　lithium-ion　batteries　were　collected,　and　the　experimental　values　were　fitted　linearly　with　the　values　of　Delta　E-poly　(as　shown　in　Eq.　(2b))　calculated　with　a　single-molecule　model　to　obtain　a　semi-empirical　formula,　which　was　subsequently　applied　to　predict　the　charge/discharge　potentials　of　industrial　polymers.　The　results　showed　that　16th　(polypyromellitic　diphenyl　sulfide),　17th　(polypyromellitic　diphenyl　ether　imine),　and　23rd　(polypyromellitic　diphenylmethaneimine)　materials　have　better　electrochemical　performance　than　the　other　materials　in　this　paper,　and　we　also　find　that　the　material,　such　as　polypyromellitic　diphenylmethaneimine,　containing　low　electronegative　heteroatom　and　electron-donating　groups,　has　a　low　potential　value.