机译:DFT研究汞在M-取代的Pd(111)和PdM /γ-Al2O3(110)(M = Au,Ag,Cu)表面上的吸附
Taiyuan Univ Technol, Key Lab Coal Sci & Technol, Minist Educ & Shanxi Prov, Taiyuan 030024, Peoples R China;
Taiyuan Univ Technol, Key Lab Coal Sci & Technol, Minist Educ & Shanxi Prov, Taiyuan 030024, Peoples R China;
Taiyuan Univ Technol, Coll Mat Sci & Engn, Taiyuan 030024, Peoples R China;
Natl Supercomp Ctr Shenzhen, Shenzhen 518055, Peoples R China;
Taiyuan Univ Technol, Coll Mat Sci & Engn, Taiyuan 030024, Peoples R China;
Taiyuan Univ Technol, Key Lab Coal Sci & Technol, Minist Educ & Shanxi Prov, Taiyuan 030024, Peoples R China;
Shanghai Res Inst Petrochem Technol SINOPEC, Shanghai 201208, Peoples R China|Nanchang Univ, Coll Chem, Nanchang 330031, Jiangxi, Peoples R China;
Taiyuan Univ Technol, Key Lab Coal Sci & Technol, Minist Educ & Shanxi Prov, Taiyuan 030024, Peoples R China;
Density functional theory; Mercury; Adsorption; Bimetal; gamma-Alumina;
机译:H2S吸附在Pd(111)和Pd /γ-Al2O3(110)表面上的密度泛函研究
机译:NiAl(110)表面上Pd,Pt,Cu,Ag和Au单体的吸附:DFT计算的比较研究
机译:DFT研究单一Pt,Pd,Ag,In和Sn在γ-Al2O3(110)表面的吸附性能
机译:Au(111)和Au(110)对半胱氨酸吸附机制的DFT研究(110)
机译:DFT研究Cu7原子纳米团簇在TiO2表面上的吸附及其在甲醇蒸汽重整反应中的应用。
机译:丙烯在Cu2O(111)和Cu2O(110)表面上的选择性氧化:系统DFT研究
机译:Cuxo / Cu(111)表面上的CO吸附:综合DFT,STM和TPD研究