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检索条件"作者=2.Center for Low-dimensional Materials,Micro-nano Devices and System, Jiangsu Polytechnic University,Changzhou 213164,china"
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First-principle study of interaction of H2 and H2O molecules with （ZnO）_n（n=3-6） ring clusters
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Progress in Natural Science:materials International 2010年 第1期20卷 30-37页
作者： Hua-peng CHEN~1,Jian-ning DING~(2,3),Ning-yi YUAN~2,Xiu-qin WANG~2,Cheng-lung CHEN~4,Duan WENG~(1*) 1.Department of materials Science and Engineering,Tsinghua Universtiy,Beijing 100084,china 2.center for low-dimensional materials,micro-nano devices and system, jiangsu polytechnic university,changzhou 213164,china 3.Key Laboratory of New Energy Source,changzhou 213164,china 4.Department of Chemistry,National Sun Yat-sen university,Kaohsiung 80424,Taiwan,china [a] Department of materials Science and Engineering Tsinghua Universtiy Beijing 100084 China [b] center for low-dimensional materials Micro-nano Devices and System Jiangsu Polytechnic University Changzhou 213164 China [c] Key Laboratory of New Energy Source Changzhou 213164 China [d] Department of Chemistry National Sun Yat-sen University Kaohsiung 80424 Taiwan China
A density functional calculation was performed to investigate the impact of hydrogen and water molecules on zinc oxide clusters（ZnO）n=3-6…X,where X=H2and *** calculated binding energies were corrected for the basis... 详细信息
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