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Xingfa Gao

Bio: Xingfa Gao is an academic researcher from Jiangxi Normal University. The author has contributed to research in topics: Graphene & Fullerene. The author has an hindex of 33, co-authored 116 publications receiving 4929 citations. Previous affiliations of Xingfa Gao include University of New Hampshire & Center for Excellence in Education.


Papers
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TL;DR: In this article, the density functional theory method (M05-2X/6-31G(d)) was used to investigate reaction mechanisms for deoxygenation of graphene oxides with hydrazine or heat treatment.
Abstract: The density functional theory method (M05-2X/6-31G(d)) was used to investigate reaction mechanisms for deoxygenation of graphene oxides (GOs) with hydrazine or heat treatment. Three mechanisms were identified as reducing epoxide groups of GO with hydrazine as a reducing agent. No reaction path was found for the hydrazine-mediated reductions of the hydroxyl, carbonyl, and carboxyl groups of GO. We instead discovered the mechanisms for dehydroxylation, decarbonylation, and decarboxylation using heat treatment. The hydrazine de-epoxidation and thermal dehydroxylation of GO have opposite dependencies on the reaction temperature. In both reduction types, the oxygen functionalities attached to the interior of an aromatic domain in GO are removed more easily, both kinetically and thermodynamically, than those attached at the edges of an aromatic domain. The hydrazine-mediated reductions of epoxide groups at the edges are suspended by forming hydrazino alcohols. We provide atomic-level elucidation for the deoxyge...

1,033 citations

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TL;DR: This critical review describes some of the important chemical and physical processes for graphene functionalization and identifies six major challenges in graphene research.
Abstract: Graphene has attracted great interest for its superior physical, chemical, mechanical, and electrical properties that enable a wide range of applications from electronics to nanoelectromechanical systems. Functionalization is among the significant vectors that drive graphene towards technological applications. While the physical properties of graphene have been at the center of attention, we still lack the knowledge framework for targeted graphene functionalization. In this critical review, we describe some of the important chemical and physical processes for graphene functionalization. We also identify six major challenges in graphene research and give perspectives and practical strategies for both fundamental studies and applications of graphene (315 references).

489 citations

Journal ArticleDOI
TL;DR: Pd nanocrystals exhibit facet-dependent oxidase and peroxidase-like activities that endow them with excellent antibacterial properties via generation of reactive oxygen species, and a reverse trend of antibacterial activity is observed against Gram-negative bacteria.
Abstract: Noble metal-based nanomaterials have shown promise as potential enzyme mimetics, but the facet effect and underlying molecular mechanisms are largely unknown. Herein, with a combined experimental and theoretical approach, we unveil that palladium (Pd) nanocrystals exhibit facet-dependent oxidase and peroxidase-like activities that endow them with excellent antibacterial properties via generation of reactive oxygen species. The antibacterial efficiency of Pd nanocrystals against Gram-positive bacteria is consistent with the extent of their enzyme-like activity, that is {100}-faceted Pd cubes with higher activities kill bacteria more effectively than {111}-faceted Pd octahedrons. Surprisingly, a reverse trend of antibacterial activity is observed against Gram-negative bacteria, with Pd octahedrons displaying stronger penetration into bacterial membranes than Pd nanocubes, thereby exerting higher antibacterial activity than the latter. Our findings provide a deeper understanding of facet-dependent enzyme-like activities and might advance the development of noble metal-based nanomaterials with both enhanced and targeted antibacterial activities.

366 citations

Journal ArticleDOI
TL;DR: It is found that the simple reaction-dissociation of O2-supported on metal surfaces can profoundly account for the oxidase-like activities of the metals and pave a way to the rational design of mimetic enzymes based on metal nanomaterials.
Abstract: Metal and alloy nanomaterials have intriguing oxidase- and superoxide dismutation-like (SOD-like) activities. However, origins of these activities remain to be studied. Using density functional theory (DFT) calculations, we investigate mechanisms of oxidase- and SOD-like properties for metals Au, Ag, Pd and Pt and alloys Au4–xMx (x = 1, 2, 3; M = Ag, Pd, Pt). We find that the simple reaction—dissociation of O2—supported on metal surfaces can profoundly account for the oxidase-like activities of the metals. The activation (Eact) and reaction energies (Er) calculated by DFT can be used to effectively predict the activity. As verification, the calculated activity orders for series of metal and alloy nanomaterials are in excellent agreement with those obtained by experiments. Briefly, the activity is critically dependent on two factors, metal compositions and exposed facets. On the basis of these results, an energy-based model is proposed to account for the activation of molecular oxygen. As for SOD-like acti...

343 citations

Journal ArticleDOI
TL;DR: The mechanisms for both activities and their pH-switchability for metals Au, Ag, Pd and Pt are reported and suggest that both activities are intrinsic properties of metals, regardless of the surfaces and intersections of facets exposed to environments.

331 citations


Cited by
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Journal ArticleDOI
22 Jul 2010-ACS Nano
TL;DR: An improved method for the preparation of graphene oxide (GO) is described, finding that excluding the NaNO(3), increasing the amount of KMnO(4), and performing the reaction in a 9:1 mixture of H(2)SO(4)/H(3)PO(4) improves the efficiency of the oxidation process.
Abstract: An improved method for the preparation of graphene oxide (GO) is described. Currently, Hummers’ method (KMnO4, NaNO3, H2SO4) is the most common method used for preparing graphene oxide. We have found that excluding the NaNO3, increasing the amount of KMnO4, and performing the reaction in a 9:1 mixture of H2SO4/H3PO4 improves the efficiency of the oxidation process. This improved method provides a greater amount of hydrophilic oxidized graphene material as compared to Hummers’ method or Hummers’ method with additional KMnO4. Moreover, even though the GO produced by our method is more oxidized than that prepared by Hummers’ method, when both are reduced in the same chamber with hydrazine, chemically converted graphene (CCG) produced from this new method is equivalent in its electrical conductivity. In contrast to Hummers’ method, the new method does not generate toxic gas and the temperature is easily controlled. This improved synthesis of GO may be important for large-scale production of GO as well as the ...

9,812 citations

Journal ArticleDOI
01 Aug 2012-Carbon
TL;DR: In this paper, the state-of-the-art status of the reduction of GO on both techniques and mechanisms is reviewed, where the reduction process can partially restore the structure and properties of graphene.

4,187 citations

Journal ArticleDOI
TL;DR: Approaches, Derivatives and Applications Vasilios Georgakilas,† Michal Otyepka,‡ Athanasios B. Bourlinos,† Vimlesh Chandra, Namdong Kim, K. Kim,§,⊥ Radek Zboril,*,‡ and Kwang S. Kim.
Abstract: Approaches, Derivatives and Applications Vasilios Georgakilas,† Michal Otyepka,‡ Athanasios B. Bourlinos,‡ Vimlesh Chandra, Namdong Kim, K. Christian Kemp, Pavel Hobza,‡,§,⊥ Radek Zboril,*,‡ and Kwang S. Kim* †Institute of Materials Science, NCSR “Demokritos”, Ag. Paraskevi Attikis, 15310 Athens, Greece ‡Regional Centre of Advanced Technologies and Materials, Department of Physical Chemistry, Faculty of Science, Palacky University Olomouc, 17. listopadu 12, 771 46 Olomouc, Czech Republic Center for Superfunctional Materials, Department of Chemistry, Pohang University of Science and Technology, San 31, Hyojadong, Namgu, Pohang 790-784, Korea Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, v.v.i., Flemingovo naḿ. 2, 166 10 Prague 6, Czech Republic

3,460 citations

Journal ArticleDOI
TL;DR: This review discusses various nanomaterials that have been explored to mimic different kinds of enzymes and covers their kinetics, mechanisms and applications in numerous fields, from biosensing and immunoassays, to stem cell growth and pollutant removal.
Abstract: Over the past few decades, researchers have established artificial enzymes as highly stable and low-cost alternatives to natural enzymes in a wide range of applications. A variety of materials including cyclodextrins, metal complexes, porphyrins, polymers, dendrimers and biomolecules have been extensively explored to mimic the structures and functions of naturally occurring enzymes. Recently, some nanomaterials have been found to exhibit unexpected enzyme-like activities, and great advances have been made in this area due to the tremendous progress in nano-research and the unique characteristics of nanomaterials. To highlight the progress in the field of nanomaterial-based artificial enzymes (nanozymes), this review discusses various nanomaterials that have been explored to mimic different kinds of enzymes. We cover their kinetics, mechanisms and applications in numerous fields, from biosensing and immunoassays, to stem cell growth and pollutant removal. We also summarize several approaches to tune the activities of nanozymes. Finally, we make comparisons between nanozymes and other catalytic materials (other artificial enzymes, natural enzymes, organic catalysts and nanomaterial-based catalysts) and address the current challenges and future directions (302 references).

2,951 citations