机译:表面羟基对γ-Al2 sub> O3 sub>(hkl)表面DME和甲醇吸附的影响及溶剂效应:密度泛函理论研究
Key Laboratory of Coal Science and Technology of Ministry of Education and Shanxi Province, Taiyuan, China;
College of Materials Science and Engineering, Taiyuan University of Technology, Taiyuan, 030024, Shanxi, China;
Key Laboratory of Coal Science and Technology of Ministry of Education and Shanxi Province, Taiyuan, China;
Key Laboratory of Coal Science and Technology of Ministry of Education and Shanxi Province, Taiyuan, China;
Adsorption; DFT; DME; γ-Al2O3; Solvent effects; CH3OH;
机译:表面羟基对DME和甲醇在γ-Al_2O_3(hkl)表面吸附的影响和溶剂效应:密度泛函理论研究
机译:氧在阶梯状Ni表面3(hkl)×(111)上的比较密度泛函理论研究[hkl =(111); (100); (110)]:露台定向的作用
机译:表面官能化甲醇 - 丙酮的竞争吸附(-COOH,-OH,-NH2和-SO3H):大规范蒙特卡罗和密度泛函理论模拟
机译:SrTiO3(001)2×1表面上锗的吸附:密度泛函理论研究
机译:密度泛函理论研究通过在固体表面上的对映体特异性吸附来分离手性物种的对映异构体。
机译:密度函数理论与吸附XPS研究氰化物在黄铜矿表面上
机译:用密度泛函理论研究CH4在钙钛矿aBO3(a = La,Ba; B = Zr,Co,Ce)表面的吸附