| DFTB+, a software package for efficient approximate density functional theory based atomistic simulations B Hourahine, B Aradi, V Blum, F Bonafé, A Buccheri, C Camacho, ... The Journal of chemical physics 152 (12), 2020 | 752 | 2020 |
| Catalytic CVD synthesis of boron nitride and carbon nanomaterials–synergies between experiment and theory B McLean, CA Eveleens, I Mitchell, GB Webber, AJ Page Physical Chemistry Chemical Physics 19 (39), 26466-26494, 2017 | 33 | 2017 |
| Borophene with large holes Y Wang, Y Park, L Qiu, I Mitchell, F Ding The Journal of Physical Chemistry Letters 11 (15), 6235-6241, 2020 | 24 | 2020 |
| Density functional tight binding‐based free energy simulations in the DFTB+ program I Mitchell, B Aradi, AJ Page Journal of Computational Chemistry 39 (29), 2452-2458, 2018 | 18 | 2018 |
| Catalytic growth of ultralong graphene nanoribbons on insulating substrates B Lyu, J Chen, S Lou, C Li, L Qiu, W Ouyang, J Xie, I Mitchell, T Wu, ... Advanced Materials 34 (28), 2200956, 2022 | 16 | 2022 |
| Spanning the “parameter space” of chemical vapor deposition graphene growth with quantum chemical simulations AJ Page, I Mitchell, HB Li, Y Wang, M Jiao, S Irle, K Morokuma The Journal of Physical Chemistry C 120 (26), 13851-13864, 2016 | 15 | 2016 |
| The influence of hydrogen on transition metal-Catalysed graphene nucleation I Mitchell, AJ Page Carbon 128, 215-223, 2018 | 11 | 2018 |
| Multilayer graphene sunk growth on Cu (111) surface X Dai, I Mitchell, S Kim, H An, F Ding Carbon 199, 233-240, 2022 | 10 | 2022 |
| A global reaction route mapping-based kinetic Monte Carlo algorithm I Mitchell, S Irle, AJ Page The Journal of Chemical Physics 145 (2), 2016 | 9 | 2016 |
| Mechanism of alcohol chemical vapor deposition growth of carbon nanotubes: catalyst oxidation B McLean, I Mitchell, F Ding Carbon 191, 1-9, 2022 | 8 | 2022 |
| J. ˇRezác, CG Sánchez, M. Sternberg, M. Stöhr, F. Stuckenberg, A. Tkatchenko, VW z. Yu and T. Frauenheim B Hourahine, B Aradi, V Blum, F Bonafé, A Buccheri, C Camacho, ... J. Chem. Phys 152, 124101-20, 2020 | 6 | 2020 |
| Å&tild; ezáč, J B Hourahine, B Aradi, V Blum, F Bonafé, A Buccheri, C Camacho, ... Sánchez, CG, 0 | 5 | |
| Theory of sigma bond resonance in flat boron materials L Qiu, X Zhang, X Kong, I Mitchell, T Yan, SY Kim, BI Yakobson, F Ding Nature Communications 14 (1), 1804, 2023 | 4 | 2023 |
| Inducing regioselective chemical reactivity in graphene with alkali metal intercalation I Mitchell, S Irle, AJ Page Physical Chemistry Chemical Physics 20 (30), 19987-19994, 2018 | 4 | 2018 |
| Erratum:“DFTB+, a software package for efficient approximate density functional theory based atomistic simulations”[J. Chem. Phys. 152, 124101 (2020)] B Hourahine, B Aradi, V Blum, F Bonafé, A Buccheri, C Camacho, ... The Journal of Chemical Physics 157 (3), 039901, 2022 | 3 | 2022 |
| High Temperature Accelerated Stone–Wales Transformation and the Threshold Temperature of IPR-C60 Formation I Mitchell, L Qiu, LD Lamb, F Ding The Journal of Physical Chemistry A 125 (21), 4548-4557, 2021 | 3 | 2021 |
| Graphene nanoribbons grown in hBN stacks for high-performance electronics B Lyu, J Chen, S Wang, S Lou, P Shen, J Xie, L Qiu, I Mitchell, C Li, C Hu, ... Nature, 1-7, 2024 | | 2024 |
| Ultra-Long Homochiral Graphene Nanoribbons Grown Within h-BN Stacks for High-Performance Electronics B Lyu, J Chen, S Wang, S Lou, P Shen, J Xie, L Qiu, I Mitchell, C Li, C Hu, ... arXiv preprint arXiv:2403.11465, 2024 | | 2024 |
| Role of Graphitic Bowls in Temperature Dependent Fullerene Formation I Mitchell, L Qiu, A Page, LD Lamb, F Ding The Journal of Physical Chemistry A 126 (48), 8955-8963, 2022 | | 2022 |
| DFTB+, a software package for efficient approximate density functional theory based atomistic simulations (vol 152, 124101, 2020) B Hourahine, B Aradi, V Blum, F Bonafe, A Buccheri, C Camacho, ... JOURNAL OF CHEMICAL PHYSICS 157 (3), 2022 | | 2022 |
Alister PageThe University of Newcastle, AustraliaVerified email at newcastle.edu.au
