The DOI matches its Crossref record; 52 of the 52 references it cites were found in a registry or an index.
Predicting Nanocrystal Shape through Consideration of Surface-Ligand Interactions
Abstract
Density functional calculations for the binding energy of oleic acid-based ligands on Pb-rich {100} and {111} facets of PbSe nanocrystals determine the surface energies as a function of ligand coverage. Oleic acid is expected to bind to the nanocrystal surface in the form of lead oleate. The Wulff construction predicts the thermodynamic equilibrium shape of the PbSe nanocrystals. The equilibrium shape is a function of the ligand surface coverage, which can be controlled by changing the concentration of oleic acid during synthesis. The different binding energy of the ligand on the {100} and {111} facets results in different equilibrium ligand coverages on the facets, and a transition in the equilibrium shape from octahedral to cubic is predicted when increasing the ligand concentration during synthesis.
Overview
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Verification
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
Citations
Cites
Generalized Gradient Approximation Made Simple
Perdew, J. P., Burke, K., & Ernzerhof, M. (1996) · Physical Review Letters · doi:10.1103/physrevlett.77.3865 · Cited by 215,824
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
Kresse, G., & Furthmüller, J. (1996) · Physical Review B · doi:10.1103/physrevb.54.11169 · Cited by 123,652
Kresse, G., & Furthmüller, J. (1996) · Computational Materials Science · doi:10.1016/0927-0256(96)00008-0 · Cited by 75,638
Ab initio molecular dynamics for liquid metals
Kresse, G., & Hafner, J. (1993) · Physical Review B · doi:10.1103/physrevb.47.558 · Cited by 45,727
Fast Parallel Algorithms for Short-Range Molecular Dynamics
Plimpton, S. (1995) · Journal of Computational Physics · doi:10.1006/jcph.1995.1039 · Cited by 44,721
Kresse, G., & Hafner, J. (1994) · Physical Review B · doi:10.1103/physrevb.49.14251 · Cited by 23,019
Semiconductor Clusters, Nanocrystals, and Quantum Dots
Alivisatos, A. P. (1996) · Science · doi:10.1126/science.271.5251.933 · Cited by 11,528
Murray, C. B., Norris, D. J., & Bawendi, M. G. (1993) · Journal of the American Chemical Society · doi:10.1021/ja00072a025 · Cited by 9,282
Improved tetrahedron method for Brillouin-zone integrations
Blöchl, P. E., Jepsen, O., & Andersen, O. K. (1994) · Physical Review B · doi:10.1103/physrevb.49.16223 · Cited by 7,297
Chemistry and Properties of Nanocrystals of Different Shapes
Burda, C., Chen, X., Narayanan, R., & El-Sayed, M. A. (2005) · Chemical Reviews · doi:10.1021/cr030063a · Cited by 7,230
Shape control of CdSe nanocrystals
Peng, X., Manna, L., Yang, W., Wickham, J., Scher, E., Kadavanich, A., & Alivisatos, A. P. (2000) · Nature · doi:10.1038/35003535 · Cited by 4,487
Colloidal nanocrystal synthesis and the organic–inorganic interface
Yin, Y., & Alivisatos, A. P. (2005) · Nature · doi:10.1038/nature04165 · Cited by 3,273
ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation
Chenoweth, K., van Duin, A. C. T., & Goddard, W. A. (2008) · The Journal of Physical Chemistry A · doi:10.1021/jp709896w · Cited by 2,697
Structural diversity in binary nanoparticle superlattices
Shevchenko, E. V., Talapin, D. V., Kotov, N. A., O'Brien, S., & Murray, C. B. (2006) · Nature · doi:10.1038/nature04414 · Cited by 2,139
Solution-processed PbS quantum dot infrared photodetectors and photovoltaics
McDonald, S. A., Konstantatos, G., Zhang, S., Cyr, P. W., Klem, E. J. D., Levina, L., & Sargent, E. H. (2005) · Nature Materials · doi:10.1038/nmat1299 · Cited by 2,006
Synthesis of Soluble and Processable Rod-, Arrow-, Teardrop-, and Tetrapod-Shaped CdSe Nanocrystals
Manna, L., Scher, E. C., & Alivisatos, A. P. (2000) · Journal of the American Chemical Society · doi:10.1021/ja003055+ · Cited by 1,756
PbSe Nanocrystal Solids for n- and p-Channel Thin Film Field-Effect Transistors
Talapin, D. V., & Murray, C. B. (2005) · Science · doi:10.1126/science.1116703 · Cited by 1,680
Some Theorems on the Free Energies of Crystal Surfaces
Herring, C. (1951) · Physical Review · doi:10.1103/physrev.82.87 · Cited by 1,552
Designing PbSe Nanowires and Nanorings through Oriented Attachment of Nanoparticles
Cho, K.-S., Talapin, D. V., Gaschler, W., & Murray, C. B. (2005) · Journal of the American Chemical Society · doi:10.1021/ja050107s · Cited by 1,215
Lead Salt Quantum Dots: the Limit of Strong Quantum Confinement
Wise, F. W. (2000) · Accounts of Chemical Research · doi:10.1021/ar970220q · Cited by 1,182
Penn, R. L., & Banfield, J. F. (1999) · Geochimica et Cosmochimica Acta · doi:10.1016/s0016-7037(99)00037-x · Cited by 1,031
Schottky Solar Cells Based on Colloidal Nanocrystal Films
Luther, J. M., Law, M., Beard, M. C., Song, Q., Reese, M. O., Ellingson, R. J., & Nozik, A. J. (2008) · Nano Letters · doi:10.1021/nl802476m · Cited by 928
El-Sayed, M. A. (2004) · Accounts of Chemical Research · doi:10.1021/ar020204f · Cited by 903
Depleted-Heterojunction Colloidal Quantum Dot Solar Cells
Pattantyus-Abraham, A. G., Kramer, I. J., Barkhouse, A. R., Wang, X., Konstantatos, G., Debnath, R., Levina, L., Raabe, I., Nazeeruddin, M. K., Grätzel, M., et al. (2010) · ACS Nano · doi:10.1021/nn100335g · Cited by 860
Observation of the "Dark Exciton" in CdSe Quantum Dots
Nirmal, M., Norris, D. J., Kuno, M., Bawendi, M. G., Efros, A. L., & Rosen, M. (1995) · Physical Review Letters · doi:10.1103/physrevlett.75.3728 · Cited by 848
Quantum dot ligands provide new insights into erbB/HER receptor–mediated signal transduction
Lidke, D. S., Nagy, P., Heintzmann, R., Arndt-Jovin, D. J., Post, J. N., Grecco, H. E., Jares-Erijman, E. A., & Jovin, T. M. (2004) · Nature Biotechnology · doi:10.1038/nbt929 · Cited by 828
Nag, A., Kovalenko, M. V., Lee, J.-S., Liu, W., Spokoyny, B., & Talapin, D. V. (2011) · Journal of the American Chemical Society · doi:10.1021/ja2029415 · Cited by 728
Puntes, V. F., Zanchet, D., Erdonmez, C. K., & Alivisatos, A. P. (2002) · Journal of the American Chemical Society · doi:10.1021/ja027262g · Cited by 670
The band edge luminescence of surface modified CdSe nanocrystallites: Probing the luminescing state
Kuno, M., Lee, J. K., Dabbousi, B. O., Mikulec, F. V., & Bawendi, M. G. (1997) · The Journal of Chemical Physics · doi:10.1063/1.473875 · Cited by 605
Size-Tunable, Bright, and Stable PbS Quantum Dots: A Surface Chemistry Study
Moreels, I., Justo, Y., De Geyter, B., Haustraete, K., Martins, J. C., & Hens, Z. (2011) · ACS Nano · doi:10.1021/nn103050w · Cited by 578
n -Type Conducting CdSe Nanocrystal Solids
Yu, D., Wang, C., & Guyot-Sionnest, P. (2003) · Science · doi:10.1126/science.1084424 · Cited by 554
Pushing the Band Gap Envelope: Mid-Infrared Emitting Colloidal PbSe Quantum Dots
Pietryga, J. M., Schaller, R. D., Werder, D., Stewart, M. H., Klimov, V. I., & Hollingsworth, J. A. (2004) · Journal of the American Chemical Society · doi:10.1021/ja047659f · Cited by 488
Pradhan, N., Battaglia, D. M., Liu, Y., & Peng, X. (2007) · Nano Letters · doi:10.1021/nl062336y · Cited by 459
Colloidal PbS Quantum Dot Solar Cells with High Fill Factor
Zhao, N., Osedach, T. P., Chang, L.-Y., Geyer, S. M., Wanger, D., Binda, M. T., Arango, A. C., Bawendi, M. G., & Bulovic, V. (2010) · ACS Nano · doi:10.1021/nn100129j · Cited by 454
Photovoltaic Devices Employing Ternary PbSxSe1-x Nanocrystals
Ma, W., Luther, J. M., Zheng, H., Wu, Y., & Alivisatos, A. P. (2009) · Nano Letters · doi:10.1021/nl900388a · Cited by 440
Law, M., Luther, J. M., Song, Q., Hughes, B. K., Perkins, C. L., & Nozik, A. J. (2008) · Journal of the American Chemical Society · doi:10.1021/ja800040c · Cited by 431
Platinum nanocrystals selectively shaped using facet-specific peptide sequences
Chiu, C.-Y., Li, Y., Ruan, L., Ye, X., Murray, C. B., & Huang, Y. (2011) · Nature Chemistry · doi:10.1038/nchem.1025 · Cited by 424
Surface Chemistry of Colloidal PbSe Nanocrystals
Moreels, I., Fritzinger, B., Martins, J. C., & Hens, Z. (2008) · Journal of the American Chemical Society · doi:10.1021/ja803994m · Cited by 390
Utilizing Self-Exchange To Address the Binding of Carboxylic Acid Ligands to CdSe Quantum Dots
Fritzinger, B., Capek, R. K., Lambert, K., Martins, J. C., & Hens, Z. (2010) · Journal of the American Chemical Society · doi:10.1021/ja104351q · Cited by 377
Bakueva, L., Musikhin, S., Hines, M. A., Chang, T.-W. F., Tzolov, M., Scholes, G. D., & Sargent, E. H. (2003) · Applied Physics Letters · doi:10.1063/1.1570940 · Cited by 372
Self-Assembly of PbTe Quantum Dots into Nanocrystal Superlattices and Glassy Films
Urban, J. J., Talapin, D. V., Shevchenko, E. V., & Murray, C. B. (2006) · Journal of the American Chemical Society · doi:10.1021/ja058269b · Cited by 337
Surface Ligand Dynamics in Growth of Nanocrystals
Pradhan, N., Reifsnyder, D., Xie, R., Aldana, J., & Peng, X. (2007) · Journal of the American Chemical Society · doi:10.1021/ja0725089 · Cited by 317
Self-Assembly of Silver Nanocrystals into Two-Dimensional Nanowire Arrays
Korgel, B. A., & Fitzmaurice, D. (1998) · Advanced Materials · doi:10.1002/(sici)1521-4095(199806)10:9<661::aid-adma661>3.0.co;2-l · Cited by 302
Effect of Surface Ligands on Optical and Electronic Spectra of Semiconductor Nanoclusters
Kilina, S., Ivanov, S., & Tretiak, S. (2009) · Journal of the American Chemical Society · doi:10.1021/ja9005749 · Cited by 277
Choi, J. J., Bealing, C. R., Bian, K., Hughes, K. J., Zhang, W., Smilgies, D.-M., Hennig, R. G., Engstrom, J. R., & Hanrath, T. (2011) · Journal of the American Chemical Society · doi:10.1021/ja110454b · Cited by 230
Self-citationSize-Dependent Composition and Molar Extinction Coefficient of PbSe Semiconductor Nanocrystals
Dai, Q., Wang, Y., Li, X., Zhang, Y., Pellegrino, D. J., Zhao, M., Zou, B., Seo, J., Wang, Y., & Yu, W. W. (2009) · ACS Nano · doi:10.1021/nn9001616 · Cited by 212
Semiconductor nanocrystals for biological imaging
Fu, A., Gu, W., Larabell, C., & Alivisatos, A. P. (2005) · Current Opinion in Neurobiology · doi:10.1016/j.conb.2005.08.004 · Cited by 178
Shevchenko, E. V., Talapin, D. V., Kornowski, A., Wiekhorst, F., Kötzler, J., Haase, M., Rogach, A. L., & Weller, H. (2002) · Advanced Materials · Cited by 151
Vu, T. Q., Maddipati, R., Blute, T. A., Nehilla, B. J., Nusblat, L. M., & Desai, T. A. (2005) · Nano Letters · doi:10.1021/nl047977c · Cited by 129
Polarz, S. (2011) · Advanced Functional Materials · doi:10.1002/adfm.201101205 · Cited by 127
Mason, J. N., Farmer, H., Tomlinson, I. D., Schwartz, J., Savchenko, V. L., DeFelice, L. J., Rosenthal, S. J., & Blakely, R. (2004) · Journal of Neuroscience Methods · doi:10.1016/j.jneumeth.2004.09.028 · Cited by 114
Energetics of Polar and Nonpolar Facets of PbSe Nanocrystals from Theory and Experiment
Fang, C., van Huis, M. A., Vanmaekelbergh, D. A. M., & Zandbergen, H. W. (2009) · ACS Nano · doi:10.1021/nn9013406 · Cited by 102
Cited by
Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways
Mathew, K., Sundararaman, R., Letchworth-Weaver, K., Arias, T. A., & Hennig, R. G. (2014) · The Journal of Chemical Physics · doi:10.1063/1.4865107 · Cited by 3,196
Self-citationLocalized Surface Plasmon Resonance in Semiconductor Nanocrystals
Agrawal, A., Cho, S. H., Zandi, O., Ghosh, S., Johns, R. W., & Milliron, D. J. (2018) · Chemical Reviews · doi:10.1021/acs.chemrev.7b00613 · Cited by 1,014
Thermodynamics versus Kinetics in Nanosynthesis
Wang, Y., He, J., Liu, C., Chong, W. H., & Chen, H. (2015) · Angewandte Chemie International Edition · doi:10.1002/anie.201402986 · Cited by 497
Amphiphile nanoarchitectonics: from basic physical chemistry to advanced applications
Ramanathan, M., Shrestha, L. K., Mori, T., Ji, Q., Hill, J. P., & Ariga, K. (2013) · Physical Chemistry Chemical Physics · doi:10.1039/c3cp50620g · Cited by 353
Accuracy of exchange-correlation functionals and effect of solvation on the surface energy of copper
Fishman, M., Zhuang, H. L., Mathew, K., Dirschka, W., & Hennig, R. G. (2013) · Physical Review B · doi:10.1103/physrevb.87.245402 · Cited by 294
Self-citation
Metadata
- Authors
- Bealing, C. R., Baumgardner, W. J., Choi, J. J., Hanrath, T., & Hennig, R. G.
- Venue
- ACS Nano
- Publisher
- American Chemical Society (ACS)
- Published
- 2012-02-29
- Volume
- 6
- Issue
- 3
- Pages
- 2118-2127
- ISSN
- 1936-0851 (ISSN-L)
- 1936-086X
- OpenAlex
- W2325322700
- Cited by
- 265
- References
- 52
- FWCI
- 10.57
- Type
- journal article
- Language
- en
- Open access
- closed
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
Data sources
Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
