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机译:锂和钠装饰了Graphdiyne作为储氢的候选者:一原则和大规范蒙特卡罗学习
Nanjing Univ Posts & Telecommun Informat Phys Res Ctr Sch Sci New Energy Technol Engn Lab Jiangsu Prov Nanjing 210023 Peoples R China|Nanjing Univ Sci & Technol Dept Appl Phys Nanjing 210094 Peoples R China;
Nanjing Univ Sci & Technol Dept Appl Phys Nanjing 210094 Peoples R China;
Nanjing Univ Posts & Telecommun Informat Phys Res Ctr Sch Sci New Energy Technol Engn Lab Jiangsu Prov Nanjing 210023 Peoples R China;
Nanjing Univ Posts & Telecommun Informat Phys Res Ctr Sch Sci New Energy Technol Engn Lab Jiangsu Prov Nanjing 210023 Peoples R China;
Nanjing Univ Posts & Telecommun Informat Phys Res Ctr Sch Sci New Energy Technol Engn Lab Jiangsu Prov Nanjing 210023 Peoples R China;
Nanjing Univ Posts & Telecommun Informat Phys Res Ctr Sch Sci New Energy Technol Engn Lab Jiangsu Prov Nanjing 210023 Peoples R China;
Nanjing Univ Posts & Telecommun Informat Phys Res Ctr Sch Sci New Energy Technol Engn Lab Jiangsu Prov Nanjing 210023 Peoples R China;
Nanjing Univ Posts & Telecommun Informat Phys Res Ctr Sch Sci New Energy Technol Engn Lab Jiangsu Prov Nanjing 210023 Peoples R China;
Nanjing Univ Sci & Technol Dept Appl Phys Nanjing 210094 Peoples R China;
Hydrogen storage; First-principles calculations; Graphdiyne; Grand canonical Monte Carlo simulations;
机译:密度泛函理论和大规范蒙特卡罗模拟研究了LI装饰网τ上的储氢
机译:硅模型纳米管作为有效储氢的潜在候选纳米材料的研究:从头算/大典范蒙特卡洛模拟研究
机译:纳米碳管有望成为储氢的候选材料:从第一性原理计算到大经典的蒙特卡洛模拟
机译:由大规范蒙特卡罗模拟的氮沸石中的氢气储存
机译:锂-钠-钙-氮-氢系统的第一性原理研究:化合物的结构和储氢性能。
机译:锂修饰的β12-硼茂铁作为储氢的潜在候选者:一项首要原理研究
机译:Li装饰的β12-硼氧烷作为氢储存的潜在候选者:第一原理研究