The DOI matches its Crossref record; 40 of the 40 references it cites were found in a registry or an index.
The Impact of Functionalization on the Stability, Work Function, and Photoluminescence of Reduced Graphene Oxide
Abstract
Reduced graphene oxide (rGO) is a promising material for a variety of thin-film optoelectronic applications. Two main barriers to its widespread use are the lack of (1) fabrication protocols leading to tailored functionalization of the graphene sheet with oxygen-containing chemical groups, and (2) understanding of the impact of such functional groups on the stability and on the optical and electronic properties of rGO. We carry out classical molecular dynamics and density functional theory calculations on a large set of realistic rGO structures to decompose the effects of different functional groups on the stability, work function, and photoluminescence. Our calculations indicate the metastable nature of carbonyl-rich rGO and its favorable transformation to hydroxyl-rich rGO at room temperature via carbonyl-to-hydroxyl conversion reactions near carbon vacancies and holes. We demonstrate a significant tunability in the work function of rGO up to 2.5 eV by altering the composition of oxygen-containing functional groups for a fixed oxygen concentration, and of the photoluminescence emission by modulating the fraction of epoxy and carbonyl groups. Taken together, our results guide the application of tailored rGO structures in devices for optoelectronics and renewable energy.
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
From ultrasoft pseudopotentials to the projector augmented-wave method
Kresse, G., & Joubert, D. (1999) · Physical Review B · doi:10.1103/physrevb.59.1758 · Cited by 85,307
Kresse, G., & Furthmüller, J. (1996) · Computational Materials Science · doi:10.1016/0927-0256(96)00008-0 · Cited by 75,638
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
Synthesis of graphene-based nanosheets via chemical reduction of exfoliated graphite oxide
Stankovich, S., Dikin, D. A., Piner, R. D., Kohlhaas, K. A., Kleinhammes, A., Jia, Y., Wu, Y., Nguyen, S. T., & Ruoff, R. S. (2007) · Carbon · doi:10.1016/j.carbon.2007.02.034 · Cited by 13,878
Graphene-based composite materials
Stankovich, S., Dikin, D. A., Dommett, G. H. B., Kohlhaas, K. M., Zimney, E. J., Stach, E. A., Piner, R. D., Nguyen, S. T., & Ruoff, R. S. (2006) · Nature · doi:10.1038/nature04969 · Cited by 12,922
ReaxFF: A Reactive Force Field for Hydrocarbons
van Duin, A. C. T., Dasgupta, S., Lorant, F., & Goddard, W. A. (2001) · The Journal of Physical Chemistry A · doi:10.1021/jp004368u · Cited by 6,402
Eda, G., Fanchini, G., & Chhowalla, M. (2008) · Nature Nanotechnology · doi:10.1038/nnano.2008.83 · Cited by 4,379
Functionalized graphene sheets for polymer nanocomposites
Ramanathan, T., Abdala, A. A., Stankovich, S., Dikin, D. A., Herrera-Alonso, M., Piner, R. D., Adamson, D. H., Schniepp, H. C., Chen, X., Ruoff, R. S., et al. (2008) · Nature Nanotechnology · doi:10.1038/nnano.2008.96 · Cited by 3,470
Graphene oxide as a chemically tunable platform for optical applications
Loh, K. P., Bao, Q., Eda, G., & Chhowalla, M. (2010) · Nature Chemistry · doi:10.1038/nchem.907 · Cited by 3,340
Graphene-based polymer nanocomposites
Potts, J. R., Dreyer, D. R., Bielawski, C. W., & Ruoff, R. S. (2011) · Polymer · doi:10.1016/j.polymer.2010.11.042 · Cited by 3,123
New insights into the structure and reduction of graphite oxide
Gao, W., Alemany, L. B., Ci, L., & Ajayan, P. M. (2009) · Nature Chemistry · doi:10.1038/nchem.281 · Cited by 2,583
Chemically Derived Graphene Oxide: Towards Large‐Area Thin‐Film Electronics and Optoelectronics
Eda, G., & Chhowalla, M. (2010) · Advanced Materials · doi:10.1002/adma.200903689 · Cited by 2,283
Blue Photoluminescence from Chemically Derived Graphene Oxide
Eda, G., Lin, Y., Mattevi, C., Yamaguchi, H., Chen, H., Chen, I., Chen, C., & Chhowalla, M. (2010) · Advanced Materials · doi:10.1002/adma.200901996 · Cited by 1,994
Structural evolution during the reduction of chemically derived graphene oxide
Bagri, A., Mattevi, C., Acik, M., Chabal, Y. J., Chhowalla, M., & Shenoy, V. B. (2010) · Nature Chemistry · doi:10.1038/nchem.686 · Cited by 1,819
Evolution of Surface Functional Groups in a Series of Progressively Oxidized Graphite Oxides
Szabó, T., Berkesi, O., Forgó, P., Josepovits, K., Sanakis, Y., Petridis, D., & Dékány, I. (2006) · Chemistry of Materials · doi:10.1021/cm060258+ · Cited by 1,792
Reduced Graphene Oxide Molecular Sensors
Robinson, J. T., Perkins, F. K., Snow, E. S., Wei, Z., & Sheehan, P. E. (2008) · Nano Letters · doi:10.1021/nl8013007 · Cited by 1,772
Mattevi, C., Eda, G., Agnoli, S., Miller, S., Mkhoyan, K. A., Celik, O., Mastrogiovanni, D., Granozzi, G., Garfunkel, E., & Chhowalla, M. (2009) · Advanced Functional Materials · doi:10.1002/adfm.200900166 · Cited by 1,723
Kamat, P. V. (2010) · The Journal of Physical Chemistry Letters · doi:10.1021/jz900265j · Cited by 1,031
Boukhvalov, D. W., & Katsnelson, M. I. (2008) · Journal of the American Chemical Society · doi:10.1021/ja8021686 · Cited by 786
What is the choice for supercapacitors: graphene or graphene oxide?
Xu, B., Yue, S., Sui, Z., Zhang, X., Hou, S., Cao, G., & Yang, Y. (2011) · Energy & Environmental Science · doi:10.1039/c1ee01198g · Cited by 774
Graphene Oxide: A Convenient Carbocatalyst for Facilitating Oxidation and Hydration Reactions
Dreyer, D. R., Jia, H., & Bielawski, C. W. (2010) · Angewandte Chemie International Edition · doi:10.1002/anie.201002160 · Cited by 680
Tunable Photoluminescence from Graphene Oxide
Chien, C., Li, S., Lai, W., Yeh, Y., Chen, H., Chen, I., Chen, L., Chen, K., Nemoto, T., Isoda, S., et al. (2012) · Angewandte Chemie International Edition · doi:10.1002/anie.201200474 · Cited by 663
Boukhvalov, D. W., & Katsnelson, M. I. (2008) · Cited by 661
Graphene-Based Nanoassemblies for Energy Conversion
Kamat, P. V. (2011) · The Journal of Physical Chemistry Letters · doi:10.1021/jz101639v · Cited by 648
Yin, Z., Sun, S., Salim, T., Wu, S., Huang, X., He, Q., Lam, Y. M., & Zhang, H. (2010) · ACS Nano · doi:10.1021/nn1015874 · Cited by 592
Room-temperature metastability of multilayer graphene oxide films
Kim, S., Zhou, S., Hu, Y., Acik, M., Chabal, Y. J., Berger, C., de Heer, W., Bongiorno, A., & Riedo, E. (2012) · Nature Materials · doi:10.1038/nmat3316 · Cited by 581
Structural and Electronic Properties of Oxidized Graphene
Yan, J.-A., Xian, L., & Chou, M. Y. (2009) · Physical Review Letters · doi:10.1103/physrevlett.103.086802 · Cited by 529
Ruoff, R. (2008) · Nature Nanotechnology · doi:10.1038/nnano.2007.432 · Cited by 490
Reduced graphene oxide as a catalyst for hydrogenation of nitrobenzene at room temperature
Gao, Y., Ma, D., Wang, C., Guan, J., & Bao, X. (2011) · Chem. Commun. · doi:10.1039/c0cc04420b · Cited by 419
Yun, J., Yeo, J., Kim, J., Jeong, H., Kim, D., Noh, Y., Kim, S., Ku, B., & Na, S. (2011) · Advanced Materials · doi:10.1002/adma.201102207 · Cited by 407
Graphene Oxide as Catalyst: Application of Carbon Materials beyond Nanotechnology
Pyun, J. (2011) · Angewandte Chemie International Edition · doi:10.1002/anie.201003897 · Cited by 391
Paci, J. T., Belytschko, T., & Schatz, G. C. (2007) · The Journal of Physical Chemistry C · doi:10.1021/jp075799g · Cited by 340
Chemically homogeneous and thermally reversible oxidation of epitaxial graphene
Hossain, M. Z., Johns, J. E., Bevan, K. H., Karmel, H. J., Liang, Y. T., Yoshimoto, S., Mukai, K., Koitaya, T., Yoshinobu, J., Kawai, M., et al. (2012) · Nature Chemistry · doi:10.1038/nchem.1269 · Cited by 329
Lin, Y., Zhang, K., Chen, W., Liu, Y., Geng, Z., Zeng, J., Pan, N., Yan, L., Wang, X., & Hou, J. G. (2010) · ACS Nano · doi:10.1021/nn100134j · Cited by 278
Surfactant-Free Water-Processable Photoconductive All-Carbon Composite
Tung, V. C., Huang, J.-H., Tevis, I., Kim, F., Kim, J., Chu, C.-W., Stupp, S. I., & Huang, J. (2011) · Journal of the American Chemical Society · doi:10.1021/ja1103734 · Cited by 201
Jahn-Teller Stabilization of a “Polar” Metal Oxide Surface:Fe3O4(001)
Pentcheva, R., Wendler, F., Meyerheim, H. L., Moritz, W., Jedrecy, N., & Scheffler, M. (2005) · Physical Review Letters · doi:10.1103/physrevlett.94.126101 · Cited by 198
Reduced Graphene Oxide Electrodes for Large Area Organic Electronics
Wöbkenberg, P. H., Eda, G., Leem, D., et al. (2011) · Advanced Materials · doi:10.1002/adma.201004161 · Cited by 96
Epoxide Speciation and Functional Group Distribution in Graphene Oxide Paper‐Like Materials
Hunt, A. H., Dikin, D. A., Kurmaev, E. Z., et al. (2012) · Advanced Functional Materials · doi:10.1002/adfm.201200529 · Cited by 83
Cited by
Heteroatom-doped graphene materials: syntheses, properties and applications
Wang, X., Sun, G., Routh, P., Kim, D.-H., Huang, W., & Chen, P. (2014) · Chem. Soc. Rev. · doi:10.1039/c4cs00141a · Cited by 1,891
Dual Cocatalysts in TiO2 Photocatalysis
Meng, A., Zhang, L., Cheng, B., & Yu, J. (2019) · Advanced Materials · doi:10.1002/adma.201807660 · Cited by 1,249
Raman study of D* band in graphene oxide and its correlation with reduction
Lee, A. Y., Yang, K., Anh, N. D., Park, C., Lee, S. M., Lee, T. G., & Jeong, M. S. (2021) · Applied Surface Science · doi:10.1016/j.apsusc.2020.147990 · Cited by 659
Lin, L.-C., & Grossman, J. C. (2015) · Nature Communications · doi:10.1038/ncomms9335 · Cited by 264
Self-citation
Metadata
- Authors
- Kumar, P. V., Bernardi, M., & Grossman, J. C.
- Venue
- ACS Nano
- Publisher
- American Chemical Society (ACS)
- Published
- 2013-01-31
- Volume
- 7
- Issue
- 2
- Pages
- 1638-1645
- ISSN
- 1936-0851 (ISSN-L)
- 1936-086X
- OpenAlex
- W2142635559
- Cited by
- 287
- References
- 40
- FWCI
- 11.40
- 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.
