Ruoshi Sun
Ruoshi Sun
Computational Scientist, University of Virginia
Verified email at - Homepage
Cited by
Cited by
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
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
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
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
The free energy of mechanically unstable phases
A Van De Walle, Q Hong, S Kadkhodaei, R Sun
Nature communications 6 (1), 1-6, 2015
Feasibility of band gap engineering of pyrite FeS_ {2}
R Sun, G Ceder
Physical Review B 84 (24), 245211, 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
Towards sub-┼ 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
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
Stability maps to predict anomalous ductility in B2 materials
R Sun, DD Johnson
Physical Review B 87 (10), 104107, 2013
Automating impurity-enhanced antiphase boundary energy calculations from ab initio Monte Carlo
R Sun, A Van de Walle
Calphad 53, 20-24, 2016
Epicycle method for elasticity limit calculations
A Van De Walle, S Kadkhodaei, R Sun, QJ Hong
Physical Review B 95 (14), 144113, 2017
Photovoltaic properties and size-pH phase stability of iron disulfide from density-functional theory
R Sun
Massachusetts Institute of Technology, 2013
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
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
R Sun
The Mathematical Intelligencer 41 (1), 78-78, 2019
First-Principles Study on Ni3Al (111) Antiphase Boundary with Ti and Hf Impurities (Postprint)
R Sun, C Woodward, A van de Walle
AFRL Materials and Manufacturing Directorate Wright Patterson Air Force Baseá…, 2017
Antiphase boundary energy of Ni3Al with Ti impurities from Monte Carlo simulations
R Sun, A van de Walle
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
First-Principles Design Maps for Predicting Anomalous Ductility in B2 Materials
R Sun
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