| Coordination-dependent surface atomic contraction in nanocrystals revealed by coherent diffraction WJ Huang, R Sun, J Tao, LD Menard, RG Nuzzo, JM Zuo Nature materials 7 (4), 308-313, 2008 | 410 | 2008 |
| First-principles electronic structure and relative stability of pyrite and marcasite: Implications for photovoltaic performance R Sun, MKY Chan, G Ceder Physical Review B 83 (23), 235311, 2011 | 168 | 2011 |
| Intrinsic stoichiometry and oxygen-induced p-type conductivity of pyrite FeS 2 R Sun, MKY Chan, SY Kang, G Ceder Physical Review B 84 (3), 035212, 2011 | 90 | 2011 |
| Software tools for high-throughput CALPHAD from first-principles data A van de Walle, R Sun, QJ Hong, S Kadkhodaei Calphad 58, 70-81, 2017 | 73 | 2017 |
| Low intensity conduction states in FeS2: implications for absorption, open-circuit voltage and surface recombination P Lazić, R Armiento, FW Herbert, R Chakraborty, R Sun, MKY Chan, ... Journal of Physics: Condensed Matter 25 (46), 465801, 2013 | 69 | 2013 |
| The free energy of mechanically unstable phases A Van De Walle, Q Hong, S Kadkhodaei, R Sun Nature communications 6 (1), 7559, 2015 | 68 | 2015 |
| Feasibility of band gap engineering of pyrite FeS_ {2} R Sun, G Ceder Physical Review B 84 (24), 245211, 2011 | 65 | 2011 |
| First-principles study on antiphase boundary with Ti and Hf impurities R Sun, C Woodward, A van de Walle Physical Review B 95 (21), 214121, 2017 | 27 | 2017 |
| Towards sub-Å atomic resolution electron diffraction imaging of metallic nanoclusters: A simulation study of experimental parameters and reconstruction algorithms WJ Huang, B Jiang, RS Sun, JM Zuo Ultramicroscopy 107 (12), 1159-1170, 2007 | 24 | 2007 |
| Stability maps to predict anomalous ductility in B2 materials R Sun, DD Johnson Physical Review B 87 (10), 104107, 2013 | 21 | 2013 |
| Automating impurity-enhanced antiphase boundary energy calculations from ab initio Monte Carlo R Sun, A Van de Walle Calphad 53, 20-24, 2016 | 18 | 2016 |
| Epicycle method for elasticity limit calculations A Van De Walle, S Kadkhodaei, R Sun, QJ Hong Physical Review B 95 (14), 144113, 2017 | 12 | 2017 |
| Photovoltaic properties and size-pH phase stability of iron disulfide from density-functional theory R Sun Massachusetts Institute of Technology, 2013 | 3 | 2013 |
| First-principles study of the effect of Al and Hf impurities on Co3W antiphase boundary energies C Nataraj, R Sun, C Woodward, A van de Walle Acta Materialia 215, 117075, 2021 | 2 | 2021 |
| First-principles thermal compatibility between Ru-based Re-substitute alloys and Ir coatings R Sun, M Asta, A van de Walle Computational Materials Science 170, 109199, 2019 | 2 | 2019 |
| Elegy R Sun The Mathematical Intelligencer 41 (1), 78-78, 2019 | | 2019 |
| First-Principles Study on Ni3Al (111) Antiphase Boundary with Ti and Hf Impurities (Postprint) R Sun, C Woodward, A van de Walle, ... | | 2017 |
| Antiphase boundary energy of Ni3Al with Ti impurities from Monte Carlo simulations R Sun, A van de Walle | | 2016 |
| Possible reasons for low open circuit voltage in pyrite (FeS2) P Lazic, R Armiento, W Herbert, R Chakraborty, R Sun, M Chan, ... APS March Meeting Abstracts 2014, F24. 013, 2014 | | 2014 |
| First-Principles Design Maps for Predicting Anomalous Ductility in B2 Materials R Sun | | 2008 |
Axel van de WalleProfessor of Engineering, Brown UniversityVerified email at brown.edu
