Li, Li, Yao, Xiangdong, Sun, Chenghua, Du, Aijun, Cheng, Lina, Zhu, Zhonghua, ...
Ammonia borane (AB) has attracted tremendous interest for on-board hydrogen storage due to its low molecular weight and high gravimetric hydrogen capacity below a moderate temperature. However, the...
Li, Li, Yao, Xiangdong, Sun, Chenghua, Du, Aijun, Cheng, Lina, Zhu, Zhonghua, ...
Ammonia borane (AB) has attracted tremendous interest for on-board hydrogen storage due to its low molecular weight and high gravimetric hydrogen capacity below a moderate temperature. However, the...
Li, Li, Yao, Xiangdong, Sun, Chenghua, Du, Aijun, Cheng, Lina, Zhu, Zhonghua, ...
Ammonia borane (AB) has attracted tremendous interest for on-board hydrogen storage due to its low molecular weight and high gravimetric hydrogen capacity below a moderate temperature. However, the...
Li, Li, Yao, Xiangdong, Sun, Chenghua, Du, Aijun, Cheng, Lina, Zhu, Zhonghua, ...
Ammonia borane (AB) has attracted tremendous interest for on-board hydrogen storage due to its low molecular weight and high gravimetric hydrogen capacity below a moderate temperature. However, the...
Computational study of methyl derivatives of ammonia borane for hydrogen storage (2008)
Chenghua Sun, Yao, Xiangdong, Du, Aijun, Li Li, Smith, Sean C., Lu, Gaoqing
The structures and thermodynamic properties of methyl derivatives of ammonia–borane (BH3NH3, AB) have been studied with the frameworks of density functional theory and second-order...
Du, Aijun, Smith, Sean C., Yao, Xiangdong, Chenghua Sun, Li, Li, Chaoqing Lu
Ab initio density functional theory calculations are performed to study the experimentally observed catalytic role of V2O5 in the recycling of hydrogen in magnesium hydride. We find that the Mg–H...
Self-assembly and cathodoluminescence of microbelts from Cu-doped boron nitride nanotubes (2008)
Chen, Zhi-Gang, Zou, Jin, Liu, Qingfeng, Sun, Chenghua, Liu, Gang, Yao, Xiangdong, ...
We report the self-assembly of microbelts from Cu-doped boron nitride nanotubes by chemical vapor deposition using Cu as a catalyst. The BN nanotubes with Cu-encapsulated flat tips have uniform outer...
Fluorination-induced magnetism in boron nitride nanotubes from ab initio calculations (2008)
Li, Feng, Zhu, Zhonghua, Yao, Xiangdong, Lu, Gaoqing, Zhao, Mingwen, Xia, Yueyuan, ...
Ab initio calculations were conducted to investigate the electronic structures and magnetic properties of fluorinated boron nitride nanotube (F-BNNT). It was found that the chemisorption of F atoms...
Fluorination-induced magnetism in boron nitride nanotubes from ab initio calculations (2008)
Li, Feng, Zhu, Zhonghua, Yao, Xiangdong, Lu, Gaoqing, Zhao, Mingwen, Xia, Yueyuan, ...
Ab initio calculations were conducted to investigate the electronic structures and magnetic properties of fluorinated boron nitride nanotube (F-BNNT). It was found that the chemisorption of F atoms...
Fluorination-induced magnetism in boron nitride nanotubes from ab initio calculations (2008)
Li, Feng, Zhu, Zhonghua, Yao, Xiangdong, Lu, Gaoqing, Zhao, Mingwen, Xia, Yueyuan, ...
Ab initio calculations were conducted to investigate the electronic structures and magnetic properties of fluorinated boron nitride nanotube (F-BNNT). It was found that the chemisorption of F atoms...
Modelling of grain size transition with alloy concentration in solidified Al-Si alloys (2007)
Yao, Xiangdong, Dahle, Arne K., Davidson, Cameron J., StJohn, David H.
The transition in grain size with Si content in Al-Si alloys has been systematically investigated by the Cellular Automaton-Finite control Volume Method (CAFVM) to understand the operating mechanisms...
Metallic and Carbon Nanotube-Catalyzed Coupling of Hydrogenation in Magnesium (2007)
Yao, Xiangdong, Wu, C, Du, A., Zou, J., Zhu, Z., Wang, P., ...
Modelling of grain size transition with alloy concentration in solidified Al-Si alloys (2007)
Yao, Xiangdong, Dahle, Arne K., Davidson, Cameron J., StJohn, David H.
The transition in grain size with Si content in Al-Si alloys has been systematically investigated by the Cellular Automaton-Finite control Volume Method (CAFVM) to understand the operating mechanisms...
Metallic and Carbon Nanotube-Catalyzed Coupling of Hydrogenation in Magnesium (2007)
Yao, Xiangdong, Wu, C, Du, A., Zou, J., Zhu, Z., Wang, P., ...
Modelling of grain size transition with alloy concentration in solidified Al-Si alloys (2007)
Yao, Xiangdong, Dahle, Arne K., Davidson, Cameron J., St John, David H.
The transition in grain size with Si content in Al–Si alloys has been systematically investigated by the Cellular Automaton-Finite control Volume Method (CAFVM) to understand the operating...
Mg-Based Nanocomposites with High Capacity and Fast Kinetics for Hydrogen Storage (2006)
Yao, Xiangdong, Wu, Chengzhang, Du, Aijun, Lu, Gao Qing, Cheng, Huiming, Smith, Sean C., ...
Magnesium and its alloys have shown a great potential in effective hydrogen storage due to their advantages of high volumetric/ gravimetric hydrogen storage capacity and low cost. However, the use of...
Mg-Based Nanocomposites with High Capacity and Fast Kinetics for Hydrogen Storage (2006)
Yao, Xiangdong, Wu, Chengzhang, Du, Aijun, Lu, Gao Qing, Cheng, Huiming, Smith, Sean C., ...
Magnesium and its alloys have shown a great potential in effective hydrogen storage due to their advantages of high volumetric/ gravimetric hydrogen storage capacity and low cost. However, the use of...
Mg-based nanocomposites with high capacity and fast kinetics for hydrogen storage (2006)
Yao, Xiangdong, Wu, Chengzhang, Du, Aijun, Lu, Gao Qing, Cheng, Huiming, Smith, Sean C., ...
Magnesium and its alloys have shown a great potential in effective hydrogen storage due to their advantages of high volumetric/gravimetric hydrogen storage capacity and low cost. However, the use of...
Du, A.J., Smith, Sean C., Yao, Xiangdong, He, Yinghe, Lu, G.Q.
Ab initio Density Functional Theory (DFT) calculations are performed to study the diffusion of atomic hydrogen on a Mg(0001) surface and their migration into the subsurface layers. A carbon atom...
Ab initio studies of hydrogen desorption from low index magnesium hydride surface (2006)
Du, Aijun, Smith, Sean, Yao, Xiangdong, Lu, Gaoqing
The low index Magnesium hydride surfaces, MgH2(0 0 1) and MgH2(1 1 0), have been studied by ab intio Density Functional Theory (DFT) calculations. It was found that the MgH2(1 1 0) surface is more...
First-principle study of adsorption of hydrogen on Ti-doped Mg (0001) surface (2006)
Du, Aijun, Smith, Sean C., Yao, Xiangdong, Lu, G. Q.
Ab initio density functional theory (DFT) calculations are performed to study the adsorption of H2 molecules on a Ti-doped Mg(0001) surface. We find that two hydrogen molecules are able to dissociate...
Du, Aijun, Smith, Sean, Yao, Xiangdong, Lu, G
Ab initio density functional theory (DFT) calculations are performed to explore possible catalytic effects on the dissociative chemisorption of hydrogen on a Mg(0001) surface when carbon is...
Modeling of microstructure formation during solidification / (2004)
Thesis (Ph.D.) - University of Queensland, 2005.