机译:原始分子和过渡金属掺杂石墨烯上甲醛分子的吸附:第一性原理研究
Jilin Univ, Inst Atom & Mol Phys, Changchun 130012, Peoples R China|Jilin Univ, Inst Theoret Chem, Changchun 130012, Peoples R China;
Jilin Univ, Inst Atom & Mol Phys, Changchun 130012, Peoples R China|Jilin Univ, Coll Phys, Changchun 130012, Peoples R China;
Jilin Univ, Inst Atom & Mol Phys, Changchun 130012, Peoples R China|Jilin Univ, Jilin Prov Key Lab Appl Atom & Mol Spect, Changchun 130012, Peoples R China;
Jilin Univ, Inst Atom & Mol Phys, Changchun 130012, Peoples R China|Jilin Univ, Jilin Prov Key Lab Appl Atom & Mol Spect, Changchun 130012, Peoples R China;
Jilin Univ, Inst Atom & Mol Phys, Changchun 130012, Peoples R China|Jilin Univ, Jilin Prov Key Lab Appl Atom & Mol Spect, Changchun 130012, Peoples R China;
Univ North Carolina Charlotte, Dept Elect & Comp Engn, Charlotte, NC 28223 USA;
Jilin Univ, Inst Atom & Mol Phys, Changchun 130012, Peoples R China|Jilin Univ, Jilin Prov Key Lab Appl Atom & Mol Spect, Changchun 130012, Peoples R China;
Metal-doped graphene; Formaldehyde; Density functional theory;
机译:通过控制外电场通过控制外部电场的转换金属掺杂石墨烯的可逆吸附/解吸:第一原理研究
机译:原始和过渡金属有毒气体分子的吸附掺杂六角形GaN单层:一项研究
机译:掺杂金属掺杂蓝二磷烯库的第一原理研究和对原始和过渡金属的吸附
机译:原始研究原始和掺杂的Penta-石墨烯没有气体分子的吸附行为
机译:过渡金属氮(TM-N,TM =铁,钴,镍和x = 0、1、2、3、4)改性石墨烯的物理和化学的第一性原理研究。
机译:离子在原始的有缺陷的和B掺杂的石墨烯上吸附和扩散的第一性原理研究
机译:原始和铝掺杂石墨烯上甲烷的吸附:通过第一性原理计算的比较研究