Title |
Author(s) |
IrusType |
Repository |
Item URL |
Total Downloads |
Accurate prediction of binding energies for two-dimensional catalytic materials using machine learning |
Melisande Fischer, Julia; Hunter, Michelle; Hankel, Marlies; Searles, Debra J.; Parker, Amanda J.; Barnard, Amanda S. |
Article |
University of Queensland [UQ eSpace] |
|
10 |
An accurate study of the dynamics of the C plus OH reaction on the second excited 1(4)A '' potential energy surface |
Zanchet, A.; Gonzalez-Lezana, T.; Roncero, O.; Jorfi, M.; Honvault, P.; Hankel, M. |
Article |
University of Queensland [UQ eSpace] |
https://espace.library.uq.edu.au/view/UQ:275307 |
62 |
Biphenylene and phagraphene as lithium ion battery anode materials |
Ferguson, David; Searles, Debra J.; Hankel, Marlies |
Article |
University of Queensland [UQ eSpace] |
https://espace.library.uq.edu.au/view/UQ:674223 |
137 |
Carbon nitride nanofibres with exceptional lithium storage capacity: from theoretical prediction to experimental implementation |
Adekoya, David; Gu, Xingxing; Rudge, Michael; Wen, William; Lai, Chao; Hankel, Marlies; Zhang, Shanqing |
Article |
University of Queensland [UQ eSpace] |
|
11 |
Coriolis coupling effects in the calculation of state-to-state integral and differential cross sections for the H+D-2 reaction |
Chu, Tian-Shu; Han, Ke-Li; Hankel, Marlies; Balint-Kurti, Gabriel G. |
Article |
University of Queensland [UQ eSpace] |
https://espace.library.uq.edu.au/view/UQ:129060 |
77 |
Enhanced CO2 photocatalytic reduction on alkali-decorated graphitic carbon nitride |
Sun, Zhuxing; Fischer, Julia Melisande Theresa Agatha; Li, Qian; Hu, Jing; Tang, Qijun; Wang, Haiqiang; Wu, Zhongbiao; Hankel, Marlies; Searles, Debra J.; Wang, Lianzhou |
Article |
University of Queensland [UQ eSpace] |
https://espace.library.uq.edu.au/view/UQ:647248 |
376 |
Enriching the hydrogen storage capacity of carbon nanotube doped with polylithiated molecules |
Panigrahi, P.; Naqvi, S. R.; Hankel, M.; Ahuja, R.; Hussain, T. |
Article |
University of Queensland [UQ eSpace] |
https://espace.library.uq.edu.au/view/UQ:725168 |
21 |
Evaluating the catalytic efficiency of paired, single-atom catalysts for the oxygen reduction reaction |
Hunter, Michelle A.; Fischer, Julia M. T. A.; Yuan, Qinghong; Hankel, Marlies; Searles, Debra J. |
Article |
University of Queensland [UQ eSpace] |
|
194 |
Functionalized carbon nitride (g-CN) monolayer as a promising energy storage material: a density functional theory study |
Hussain, T.; Kaewmaraya, T.; Hankel, M.; Amornkitbamrung, V. |
Article |
University of Queensland [UQ eSpace] |
https://espace.library.uq.edu.au/view/UQ:675146 |
75 |
Hydrogenated defective graphene as an anode material for sodium and calcium ion batteries: a density functional theory study |
Farokh Niaei, Amir H.; Hussain, Tanveer; Hankel, Marlies; Searles, Debra J. |
Article |
University of Queensland [UQ eSpace] |
|
86 |
Lithium and sodium storage on graphitic carbon nitride |
Hankel, Marlies; Ye, Delai; Wang, Lianzhou; Searles, Debra J. |
Article |
University of Queensland [UQ eSpace] |
https://espace.library.uq.edu.au/view/UQ:370835 |
166 |
Lithium storage on carbon nitride, graphenylene and inorganic graphenylene |
Hankel, Marlies; Searles, Debra J. |
Article |
University of Queensland [UQ eSpace] |
https://espace.library.uq.edu.au/view/UQ:396320 |
98 |
Nonadiabatic effects in the H+H-2 exchange reaction: Accurate quantum dynamics calculations at a state-to-state level |
Chu, Tian-Shu; Han, Ke-Li; Hankel, Marlies; Balint-Kurti, Gabriel G.; Kuppermann, Aron; Abrol, Ravinder |
Article |
University of Queensland [UQ eSpace] |
https://espace.library.uq.edu.au/view/UQ:181066 |
63 |
Porous graphene and nanomeshes |
Jiao, Yan; Hankel, Marlies; Du, Aijun; Smith, Sean C. |
Book Section |
University of Queensland [UQ eSpace] |
https://espace.library.uq.edu.au/view/UQ:326762 |
3 |
Quantum dynamical study of the O(1D)+HCl reaction employing three electronic state potential energy surfaces |
Yang, Huan; Han, Ke-Li; Nanbu, Shinko; Nakamura, Hiroki; Balint-Kurti, Gabriel G.; Zhang, Hong; Smith, Sean C.; Hankel, Marlies |
Article |
University of Queensland [UQ eSpace] |
https://espace.library.uq.edu.au/view/UQ:160043 |
62 |
Quantum mechanical calculation of product state distributions for the O(1D)+H2→OH+H reaction on the ground electronic state surface |
Hankel, Marlies; Balint-Kurti, Gabriel G.; Gray, Stephen K. |
Article |
University of Queensland [UQ eSpace] |
https://espace.library.uq.edu.au/view/UQ:250184 |
59 |
Significant nonadiabatic effects in the C + CH reaction dynamics |
Yang, Huan; Hankel, Marlies; Zheng, Yujun; Varandas, Antonio J. C. |
Article |
University of Queensland [UQ eSpace] |
https://espace.library.uq.edu.au/view/UQ:244484 |
51 |
Sodium-intercalated bulk graphdiyne as an anode material for rechargeable batteries |
Farokh Niaei, Amir H.; Hussain, Tanveer; Hankel, Marlies; Searles, Debra J. |
Article |
University of Queensland [UQ eSpace] |
https://espace.library.uq.edu.au/view/UQ:436501 |
50 |
State-to-state reaction probabilities for the H+O(2)(v,j) -> O+OH(v',j') reaction on three potential energy surfaces |
Hankel, Marlies; Smith, Sean C.; Meijer, Anthony J. H. M. |
Article |
University of Queensland [UQ eSpace] |
https://espace.library.uq.edu.au/view/UQ:129694 |
25 |
State-to-state reactive differential cross sections for the H+H(2) -> H(2)+H reaction on five different potential energy surfaces employing a new quantum wavepacket computer code: DIFFREALWAVE |
Hankel, Marlies; Smith, Sean C.; Allan, Robert J.; Gray, Stephen K.; Balint-Kurti, Gabriel G. |
Article |
University of Queensland [UQ eSpace] |
https://espace.library.uq.edu.au/view/UQ:119581 |
86 |
Study of the H+O2 reaction by means of quantum mechanical and statistical approaches: The dynamics on two different potential energy surfaces |
Bargueno, Pedro; González-Lezana, Tomás; Larregaray, Pascal; Bonnet, Laurent; Rayez, Jean-Claude; Hankel, Marlies; Smith, Sean C.; Meijer, Anthony J. H. M. |
Article |
University of Queensland [UQ eSpace] |
https://espace.library.uq.edu.au/view/UQ:160051 |
51 |
Understanding the Origin of Li2MnO3 Activation in Li-Rich Cathode Materials for Lithium-Ion Batteries |
Ye, Delai; Zeng, Guang; Nogita, Kazuhiro; Ozawa, Kiyoshi; Hankel, Marlies; Searles, Debra J; Wang, Lianzhou |
Article |
University of Queensland [UQ eSpace] |
https://espace.library.uq.edu.au/view/UQ:377028 |
290 |