| ชื่อเรื่อง | : | Metal free hydrogenation reaction on carbon doped boron nitride fullerene : a DFT study on the kinetic issue |
| นักวิจัย | : | Wu, Hongyu , Fan, Xiaofeng , Kuo, Jer-Lai |
| คำค้น | : | - |
| หน่วยงาน | : | Nanyang Technological University, Singapore |
| ผู้ร่วมงาน | : | - |
| ปีพิมพ์ | : | 2555 |
| อ้างอิง | : | Wu, H., Fan, X., & Kuo, J.-L. (2012). Metal free hydrogenation reaction on carbon doped boron nitride fullerene: A DFT study on the kinetic issue. International Journal of Hydrogen Energy, 37(19), 14336-14342. , 0360-3199 , http://hdl.handle.net/10220/11566 , http://dx.doi.org/10.1016/j.ijhydene.2012.07.081 |
| ที่มา | : | - |
| ความเชี่ยวชาญ | : | - |
| ความสัมพันธ์ | : | International journal of hydrogen energy |
| ขอบเขตของเนื้อหา | : | - |
| บทคัดย่อ/คำอธิบาย | : | By the incorporation of C into (BN)12 fullerene, our theoretical investigation shows that the hydrogenation reaction on carbon doped B11N12C cluster is both thermodynamically favored and kinetically feasible under ambient conditions. Without using the metal catalyst, the C atom can work as an activation center to dissociate H2 molecule and provide the free H atom for further hydrogenation on the B11N12C fullerene, which saves the materials cost in practical applications for hydrogen storage. Moreover, the material curvature also plays an important role in reducing the activation barrier for the hydrogen dissociation on the BN fullerenes. |
| บรรณานุกรม | : |
Wu, Hongyu , Fan, Xiaofeng , Kuo, Jer-Lai . (2555). Metal free hydrogenation reaction on carbon doped boron nitride fullerene : a DFT study on the kinetic issue.
กรุงเทพมหานคร : Nanyang Technological University, Singapore. Wu, Hongyu , Fan, Xiaofeng , Kuo, Jer-Lai . 2555. "Metal free hydrogenation reaction on carbon doped boron nitride fullerene : a DFT study on the kinetic issue".
กรุงเทพมหานคร : Nanyang Technological University, Singapore. Wu, Hongyu , Fan, Xiaofeng , Kuo, Jer-Lai . "Metal free hydrogenation reaction on carbon doped boron nitride fullerene : a DFT study on the kinetic issue."
กรุงเทพมหานคร : Nanyang Technological University, Singapore, 2555. Print. Wu, Hongyu , Fan, Xiaofeng , Kuo, Jer-Lai . Metal free hydrogenation reaction on carbon doped boron nitride fullerene : a DFT study on the kinetic issue. กรุงเทพมหานคร : Nanyang Technological University, Singapore; 2555.
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