Topology-Scaling Identification of Layered Solids and Stable Exfoliated 2D Materials
Ashton, Michael, Paul, Joshua, Sinnott, Susan B, Hennig, Richard G
Published in Physical review letters (10.03.2017)
Published in Physical review letters (10.03.2017)
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Journal Article
Predicted Surface Composition and Thermodynamic Stability of MXenes in Solution
Ashton, Michael, Mathew, Kiran, Hennig, Richard G, Sinnott, Susan B
Published in Journal of physical chemistry. C (18.02.2016)
Published in Journal of physical chemistry. C (18.02.2016)
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Journal Article
Two-Dimensional Intrinsic Half-Metals With Large Spin Gaps
Ashton, Michael, Gluhovic, Dorde, Sinnott, Susan B, Guo, Jing, Stewart, Derek A, Hennig, Richard G
Published in Nano letters (13.09.2017)
Published in Nano letters (13.09.2017)
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Journal Article
Molecular Simulation of Capture of Sulfur-Containing Gases by Porous Aromatic Frameworks
Zhang, Difan, Jing, Xiaofei, Sholl, David S, Sinnott, Susan B
Published in Journal of physical chemistry. C (16.08.2018)
Published in Journal of physical chemistry. C (16.08.2018)
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Journal Article
Multi-Step Topochemical Pathway to Metastable Mo2AlB2 and Related Two-Dimensional Nanosheet Heterostructures
Alameda, Lucas T, Lord, Robert W, Barr, Jordan A, Moradifar, Parivash, Metzger, Zachary P, Steimle, Benjamin C, Holder, Cameron F, Alem, Nasim, Sinnott, Susan B, Schaak, Raymond E
Published in Journal of the American Chemical Society (10.07.2019)
Published in Journal of the American Chemical Society (10.07.2019)
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Journal Article
Behavior of molecules and molecular ions near a field emitter
Gault, Baptiste, Saxey, David W, Ashton, Michael W, Sinnott, Susan B, Chiaramonti, Ann N, Moody, Michael P, Schreiber, Daniel K
Published in New journal of physics (18.03.2016)
Published in New journal of physics (18.03.2016)
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Journal Article
Variable Charge Reactive Potential for Hydrocarbons to Simulate Organic-Copper Interactions
Liang, Tao, Devine, Bryce, Phillpot, Simon R, Sinnott, Susan B
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (02.08.2012)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (02.08.2012)
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Journal Article
Influence of phase and interface properties on the stress state dependent fracture initiation behavior in DP steels through computational modeling
Qin, Shipin, Lu, Yanfu, Sinnott, Susan B., Beese, Allison M.
Published in Materials science & engineering. A, Structural materials : properties, microstructure and processing (03.03.2020)
Published in Materials science & engineering. A, Structural materials : properties, microstructure and processing (03.03.2020)
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Journal Article
Heterostructures coupling ultrathin metal carbides and chalcogenides
Sredenschek, Alexander J, Sanchez, David Emanuel, Wang, Jiayang, Lei, Yu, Sinnott, Susan B, Terrones, Mauricio
Published in Nature materials (01.04.2024)
Published in Nature materials (01.04.2024)
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Journal Article
Development of a ReaxFF Reactive Force Field for NaSiO x /Water Systems and Its Application to Sodium and Proton Self-Diffusion
Hahn, Seung Ho, Rimsza, Jessica, Criscenti, Louise, Sun, Wei, Deng, Lu, Du, Jincheng, Liang, Tao, Sinnott, Susan B, van Duin, Adri C. T
Published in Journal of physical chemistry. C (30.08.2018)
Published in Journal of physical chemistry. C (30.08.2018)
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Journal Article
MPInterfaces: A Materials Project based Python tool for high-throughput computational screening of interfacial systems
Mathew, Kiran, Singh, Arunima K., Gabriel, Joshua J., Choudhary, Kamal, Sinnott, Susan B., Davydov, Albert V., Tavazza, Francesca, Hennig, Richard G.
Published in Computational materials science (01.09.2016)
Published in Computational materials science (01.09.2016)
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Journal Article
Carbon doping of WS2 monolayers: Bandgap reduction and p-type doping transport
Zhang, Fu, Lu, Yanfu, Schulman, Daniel S, Zhang, Tianyi, Fujisawa, Kazunori, Lin, Zhong, Lei, Yu, Elias, Ana Laura, Das, Saptarshi, Sinnott, Susan B, Terrones, Mauricio
Published in Science advances (24.05.2019)
Published in Science advances (24.05.2019)
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Journal Article
Three-dimensional atomic scale electron density reconstruction of octahedral tilt epitaxy in functional perovskites
Yuan, Yakun, Lu, Yanfu, Stone, Greg, Wang, Ke, Brooks, Charles M, Schlom, Darrell G, Sinnott, Susan B, Zhou, Hua, Gopalan, Venkatraman
Published in Nature communications (06.12.2018)
Published in Nature communications (06.12.2018)
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Journal Article
Classical atomistic simulations of surfaces and heterogeneous interfaces with the charge-optimized many body (COMB) potentials
Liang, Tao, Shan, Tzu-Ray, Cheng, Yu-Ting, Devine, Bryce D., Noordhoek, Mark, Li, Yangzhong, Lu, Zhize, Phillpot, Simon R., Sinnott, Susan B.
Published in Materials science & engineering. R, Reports : a review journal (01.09.2013)
Published in Materials science & engineering. R, Reports : a review journal (01.09.2013)
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Journal Article