机译:电场控制的在石墨烯基材料上捕获或释放光气分子:第一性原理计算
Northeast Normal Univ, Natl & Local United Engn Lab Power Battery, Fac Chem, Inst Funct Mat Chem, Renmin Rd 5268, Changchun 130024, Jilin, Peoples R China;
Northeast Normal Univ, Natl & Local United Engn Lab Power Battery, Fac Chem, Inst Funct Mat Chem, Renmin Rd 5268, Changchun 130024, Jilin, Peoples R China;
Northeast Normal Univ, Natl & Local United Engn Lab Power Battery, Fac Chem, Inst Funct Mat Chem, Renmin Rd 5268, Changchun 130024, Jilin, Peoples R China;
Northeast Normal Univ, Natl & Local United Engn Lab Power Battery, Fac Chem, Inst Funct Mat Chem, Renmin Rd 5268, Changchun 130024, Jilin, Peoples R China;
Northeast Normal Univ, Natl & Local United Engn Lab Power Battery, Fac Chem, Inst Funct Mat Chem, Renmin Rd 5268, Changchun 130024, Jilin, Peoples R China;
Northeast Normal Univ, Natl & Local United Engn Lab Power Battery, Fac Chem, Inst Funct Mat Chem, Renmin Rd 5268, Changchun 130024, Jilin, Peoples R China;
Jilin Univ, Sch Publ Hlth, Xinmin St 1163, Changchun 130021, Jilin, Peoples R China;
Northeast Normal Univ, Natl & Local United Engn Lab Power Battery, Fac Chem, Inst Funct Mat Chem, Renmin Rd 5268, Changchun 130024, Jilin, Peoples R China;
Phosgene; Mn-doped graphene; Electric field; Adsorption or desorption; Substrate recycling; Molecular dynamics simulation;
机译:光气分子在过渡金属掺杂石墨烯上的吸附:第一性原理计算
机译:石墨烯上磁态的电场控制,电荷转移和原子构图:第一原理密度泛函理论计算
机译:分子基材料介电响应的第一性原理计算
机译:动态多孔配位材料的结构和功能,机械捕获和释放,包括客体分子
机译:复杂材料的振动光谱:第一原理计算和无弹性中子散射研究
机译:在石墨烯量子点磁电场控制:从头计算
机译:来自au(110)表面上碳原子扩散的电场噪声: 第一原理计算和实验
机译:al(111)表面含硝基分子化学吸附性能的第一性原理计算(高能量密度材料挑战项目的多尺度模拟)