Lecture Slides
Total Page:16
File Type:pdf, Size:1020Kb
Load more
Recommended publications
-
Covalent Functionalization of Two-Dimensional Group 14 Graphane Analogues
Chemical Society Reviews Covalent Functionalization of Two-Dimensional Group 14 Graphane Analogues Journal: Chemical Society Reviews Manuscript ID CS-REV-04-2018-000291.R1 Article Type: Review Article Date Submitted by the Author: 29-May-2018 Complete List of Authors: Huey, Warren; The Ohio State University, Chemistry and Biochemistry Goldberger, Joshua; The Ohio State University, Chemistry and Biochemistry Page 1 of 25 PleaseChemical do not Society adjust Reviews margins Chem Soc Rev Review Article Covalent Functionalization of Two-Dimensional Group 14 Graphane Analogues a a Received 00thJanuary 20xx, Warren L. B. Huey and Joshua E. Goldberger* Accepted 00th January 20xx The sp3-hybridized group 14 graphane analogues are a unique family of 2D materials in which every atom requires a DOI: 10.1039/x0xx00000x terminal ligand for stability. Consequently, the optical, electronic, and thermal properties of these materials can be www.rsc.org/ manipulated via covalent chemistry. Herein, we review the methodologies for preparing these materials, and compare their functionalization densities to Si/Ge(111) surfaces and other covalently terminated 2D materials. We discuss how the electronic structure, optical properties, and thermal stability of the 2D framework can be broadly tuned with the ligand identity and framework element. We highlight their recent application in electronics, optoelectronics, photocatalysis, and batteries. Overall, these materials are an intriguing regime in materials design in which both surface functionalization and solid-state chemistry can be uniquely exploited to systematically design properties and phenomena. electronic structure. In addition, the local dielectric constant, A. Introduction the hydrophobicity, and the thermal stability can be controlled by grafting different ligands. -
Absence of Stable Atomic Structure in Fluorinated Graphene
Absence of stable atomic structure in fluorinated graphene Danil W. Boukhvalov1,2 1Department of Chemistry, Hanyang University, 17 Haengdang-dong, Seongdong-gu, Seoul 133-791, Korea 2Theoretical Physics and Applied Mathematics Department, Ural Federal University, Mira Street 19, 620002 Ekaterinburg, Russia Based on the results of first-principles calculations we demonstrate that significant distortion of graphene sheets caused by adsorption of fluorine atoms leads to the formation of metastable patterns for which the next step of fluorination is considerably less energetically favorable. Existence of these stable patterns oriented along the armchair direction makes possible the synthesis of various CFx structures. The combination of strong distortion of the nonfluorinated graphene sheet with the doping caused by the polar nature of C–F bonds reduces the energy cost of migration and the energy of migration barriers, making possible the migration of fluorine atoms on the graphene surface as well as transformation of the shapes of fluorinated areas. The decreasing energy cost of migration with increasing fluorine content also leads to increasing numbers of single fluorine adatoms, which could be the source of magnetic moments. 1. Introduction Functionalization of graphene is used to tune its electronic, optical, mechanical and chemical properties [1]. The best known kind of functionalized graphene is graphene oxide, which can be obtained by means of exfoliating graphite oxide and was first synthesized more than 150 years ago [2]. Unfortunately, graphene oxide’s complicated method of synthesis and inexact chemical structure make it unsuitable for some prospective applications; structural problems of particular note include the presence of perforations of various sizes and shapes, decreasing size of the graphene flakes and nonuniform distribution of functionalized areas [2]. -
Material Degradation Studies in Molten Halide Salts
MATERIAL DEGRADATION STUDIES IN MOLTEN HALIDE SALTS BRENDAN D’SOUZA Dissertation submitted to the faculty of the Virginia Polytechnic Institute and State University in partial fulfillment of the requirements for the degree of Doctor of Philosophy In Nuclear Engineering Jinsuo Zhang, Chair Mark Pierson Yang Liu Xianming Bai 5th March, 2021 Blacksburg, Virginia Keywords: Molten Salt Purification, Molten Salt Corrosion, Nickel-Based Alloys, Ferrous-Based Alloys, Boriding/Boronizing MATERIAL DEGRADATION STUDIES IN MOLTEN HALIDE SALTS BRENDAN D’SOUZA ABSTRACT This study focused on molten salt purification processes to effectively reduce or eliminate the corrosive contaminants without altering the salt's chemistry and properties. The impurity-driven ® ® corrosion behavior of HAYNES 230 alloy in the molten KCl-MgCl2-NaCl salt was studied at 800 ºC for 100 hours with different salt purity conditions. The H230 alloy exhibited better corrosion resistance in the salt with lower concentration of impurities. Furthermore, it was also found that the contaminants along with salt's own vaporization at high temperatures severely corroded even the non-wetted surface of the alloy. The presence of Mg in its metal form in the salt resulted in an even higher mass-loss possibly due to Mg-Ni interaction. The study also investigated the corrosion characteristics of several nickel and ferrous-based alloys in the molten KCl-MgCl2- NaCl salt. The average mass-loss was in the increasing order of C276 < SS316L < 709-RBB* < IN718 < H230 < 709-RBB < 709-4B2. The corrosion process was driven by the outward diffusion of chromium. However, other factors such as the microstructure of the alloy i.e. -
Cytotoxicity of Fluorographene
RSC Advances Cytotoxicity of fluorographene Journal: RSC Advances Manuscript ID RA-ART-10-2015-022663.R1 Article Type: Paper Date Submitted by the Author: 29-Nov-2015 Complete List of Authors: Teo, Wei Zhe; Nanyang Technological University, Chemistry and Biological Chemistry Sofer, Zdenek; Institute of Chemical Technology, Prague, Department of Inorganic Chemistry Sembera, Filip; Institute of Organic Chemistry and Biochemistry AS CR, v.v.i., Janousek, Zbynek; Institute of Organic Chemistry and Biochemistry, Pumera, Martin; Nanyang Technological University, Chemistry and Biological Chemistry Subject area & keyword: Nanomaterials - Materials < Materials Page 1 of 9 PleaseRSC do not Advances adjust margins Journal Name ARTICLE Cytotoxicity of fluorographene Wei Zhe Teo,a Zdenek Sofer b, Filip Šembera c, Zbyněk Janoušek c and Martin Pumera* a Received 00th January 20xx, Accepted 00th January 20xx Fluorinated graphene (F-G) are gaining popularity in recent years and should they be introduced commercially in the future, these nanomaterials will inevitably be released into the environment through disposal or wearing of the products. DOI: 10.1039/x0xx00000x In view of this, we attempted to investigate the cytotoxicity of three F-G nanomaterials in this study, with the use of two www.rsc.org/ well-establish cell viability assays, to find out their impact on mammalian cells and how their physiochemical properties might affect the extent of their cytotoxicity. Cell viability measurements on A549 cells following 24 h exposure to the F-G revealed that F-G does impart dose-dependent toxicological effects on the cells, and the level of cytotoxicity induced by the nanomaterials differed vastly. It was suggested that the fluorine content, in particular the types of fluorine-containing group present in the nanomaterial played significant roles in affecting its cytotoxicity. -
WO 2016/074683 Al 19 May 2016 (19.05.2016) W P O P C T
(12) INTERNATIONAL APPLICATION PUBLISHED UNDER THE PATENT COOPERATION TREATY (PCT) (19) World Intellectual Property Organization International Bureau (10) International Publication Number (43) International Publication Date WO 2016/074683 Al 19 May 2016 (19.05.2016) W P O P C T (51) International Patent Classification: (81) Designated States (unless otherwise indicated, for every C12N 15/10 (2006.01) kind of national protection available): AE, AG, AL, AM, AO, AT, AU, AZ, BA, BB, BG, BH, BN, BR, BW, BY, (21) International Application Number: BZ, CA, CH, CL, CN, CO, CR, CU, CZ, DE, DK, DM, PCT/DK20 15/050343 DO, DZ, EC, EE, EG, ES, FI, GB, GD, GE, GH, GM, GT, (22) International Filing Date: HN, HR, HU, ID, IL, IN, IR, IS, JP, KE, KG, KN, KP, KR, 11 November 2015 ( 11. 1 1.2015) KZ, LA, LC, LK, LR, LS, LU, LY, MA, MD, ME, MG, MK, MN, MW, MX, MY, MZ, NA, NG, NI, NO, NZ, OM, (25) Filing Language: English PA, PE, PG, PH, PL, PT, QA, RO, RS, RU, RW, SA, SC, (26) Publication Language: English SD, SE, SG, SK, SL, SM, ST, SV, SY, TH, TJ, TM, TN, TR, TT, TZ, UA, UG, US, UZ, VC, VN, ZA, ZM, ZW. (30) Priority Data: PA 2014 00655 11 November 2014 ( 11. 1 1.2014) DK (84) Designated States (unless otherwise indicated, for every 62/077,933 11 November 2014 ( 11. 11.2014) US kind of regional protection available): ARIPO (BW, GH, 62/202,3 18 7 August 2015 (07.08.2015) US GM, KE, LR, LS, MW, MZ, NA, RW, SD, SL, ST, SZ, TZ, UG, ZM, ZW), Eurasian (AM, AZ, BY, KG, KZ, RU, (71) Applicant: LUNDORF PEDERSEN MATERIALS APS TJ, TM), European (AL, AT, BE, BG, CH, CY, CZ, DE, [DK/DK]; Nordvej 16 B, Himmelev, DK-4000 Roskilde DK, EE, ES, FI, FR, GB, GR, HR, HU, IE, IS, IT, LT, LU, (DK). -
(12) United States Patent (10) Patent No.: US 9,017,474 B2 Geim Et Al
US00901.7474B2 (12) United States Patent (10) Patent No.: US 9,017,474 B2 Geim et al. (45) Date of Patent: Apr. 28, 2015 (54) FUNCTIONALIZED GRAPHENE AND 2011/0186786 A1* 8, 2011 Scheffer et al. ............... 252/510 METHODS OF MANUFACTURING THE 2011/0186789 A1* 8, 2011 Samulski et al. .. ... 252/514 SAME 2012/0021293 A1 1/2012 Zhamu et al. .............. 429,2315 (75) Inventors: Andre Geim, Manchester (GB); Rahul OTHER PUBLICATIONS Raveendran-Nair, Manchester (GB); Kostya Novoselov, Manchester (GB) http://www.merriam-Webster.com/dictionary/composite; May 23, s 2014. (73) Assignee: The University of Manchester, Blake, P. et al., “Graphene-based liquid crystal device.” Nano Lett. Manchester (GB) 8(6): 1704-1708, (Apr. 30, 2008). Castro Neto, A., et al., “The electronic properties of graphene.” Rev. (*) Notice: Subject to any disclaimer, the term of this Mod. Phys., 81(1): 109-162, (2009). patent is extended or adjusted under 35 Charlier, J., et al., “First-principles study of graphite monofluoride U.S.C. 154(b) by 436 days. (CF).” Phys Rev. B. 47(24): 16162-16168, (1993). Cheng, S., “Reversible fluorination of graphene: towards a two (21) Appl. No.: 13/158,064 dimensional wide bandgap semiconductor. J. Am. Chem. Soc., 101:3832-3841, (1979). (22) Filed: Jun. 10, 2011 Conesa, J. and Font, R., “Poytetrafluoroethylene decomposition in air and nitrogen.” Polym. Eng. Scie., 41(12):2137-2147 (Dec. 2001). (65) Prior Publication Data Eda, C. and Chhowalla, M.. “Chemically derived graphene oxide: US 2011 FO3O3121 A1 Dec. 15, 2011 towards large-area thin-film electronics and optoelectronics.” Adv. • als Mater. -
Arxiv:1109.4050V5 [Cond-Mat.Mtrl-Sci] 24 Jan 2013 Even More Important
First-Principles Investigation of Bilayer Fluorographene J. Sivek,1, ∗ O. Leenaerts,1, y B. Partoens,1, z and F. M. Peeters1, x 1Departement Fysica, Universiteit Antwerpen, Groenenborgerlaan 171, B-2020 Antwerpen, Belgium (Dated: October 7, 2018) Ab initio calculations within the density functional theory formalism are performed to investigate the stability and electronic properties of fluorinated bilayer graphene (bilayer fluorographene). A comparison is made to previously investigated graphane, bilayer graphane, and fluorographene. Bilayer fluorographene is found to be a much more stable material than bilayer graphane. Its electronic band structure is similar to that of monolayer fluorographene, but its electronic band gap is significantly larger (about 1 eV). We also calculate the effective masses around the Γ-point for fluorographene and bilayer fluorographene and find that they are isotropic, in contrast to earlier reports. Furthermore, it is found that bilayer fluorographene is almost as strong as graphene, as its 2D Young's modulus is approximately 300 N m−1. PACS numbers: 61.48.Gh, 68.43.-h, 68.43.Bc, 68.43.Fg, 73.21.Ac, 81.05.Uw I. INTRODUCTION result from the hydrogenation and fluorination of graphene, respectively. They are theoretically predicted Since the first reports on the successful isolation of sta- [19{26] and experimentally observed [14{16, 18, 27, 28] ble two-dimensional crystals consisting of a single atom to form crystalline materials, in contrast to, for example, layer by Novoselov et al. in 2004, [1, 2] researchers graphene oxide. [29, 30] have been looking for ways to employ these new mate- These new two-dimensional crystals are currently the rials in real-world applications. -
Electronic and Optical Properties of Fluorographene
Electronic Structure and Optical Absorption of Fluorographene Yufeng Liang and Li Yang Department of Physics, Washington University in St. Louis, One Brookings Drive, St. Louis, MO 63130, USA ABSTRACT A first-principles study on the quasiparticles energy and optical absorption spectrum of fluorographene is presented by employing the GW + Bethe-Salpeter Equation (BSE) method with many-electron effects included. The calculated band gap is increased from 3.0 eV to 7.3 eV by the GW approximation. Moreover, the optical absorption spectrum of fluorographene is dominated by enhanced excitonic effects. The prominent absorption peak is dictated by bright resonant excitons around 9.0 eV that exhibit a strong charge transfer character, shedding light on the exciton condensation and relevant optoelectronic applications. At the same time, the lowest-lying exciton at 3.8 eV with a binding energy of 3.5 eV is identified, which gives rise to explanation of the recent ultraviolet photoluminescence experiment. INTRODUCTION Graphene [1] has attracted intensive attention recently because of its extraordinary physical properties and broad applications. The linear dispersion relation near the Dirac point results in the relativistic nature of electrons [2] and leads to an ultrahigh mobility of charge carriers, rendering graphene a promising candidate for future high speed nano-electronic devices [3]. However, one known obstacle of putting graphene into realistic applications is the absence of a finite band gap that is essential for semiconductor devices, such as building bipolar junction structures. As a result, many efforts have been performed to generate a finite band gap in graphene or its derivatives. Among them, the chemical modification [4-7] has been regarded as a promising candidate because of its low cost and capability for large-scale productions. -
Effective Mechanical Properties of Multilayer Nano-Heterostructures," Scientific Reports, Vol
Missouri University of Science and Technology Scholars' Mine Materials Science and Engineering Faculty Research & Creative Works Materials Science and Engineering 17 Nov 2017 Effective Mechanical Properties of Multilayer Nano- Heterostructures T Mukhopadhyay A Mahata S Adhikari Mohsen Asle Zaeem Missouri University of Science and Technology, [email protected] Follow this and additional works at: https://scholarsmine.mst.edu/matsci_eng_facwork Part of the Materials Science and Engineering Commons Recommended Citation T. Mukhopadhyay et al., "Effective Mechanical Properties of Multilayer Nano-Heterostructures," Scientific Reports, vol. 7, no. 1, pp. 15818-15818, Nature Publishing Group, Nov 2017. This Article - Journal is brought to you for free and open access by Scholars' Mine. It has been accepted for inclusion in Materials Science and Engineering Faculty Research & Creative Works by an authorized administrator of Scholars' Mine. This work is protected by U. S. Copyright Law. Unauthorized use including reproduction for redistribution requires the permission of the copyright holder. For more information, please contact [email protected]. www.nature.com/scientificreports OPEN Efective mechanical properties of multilayer nano-heterostructures T. Mukhopadhyay1, A. Mahata2, S. Adhikari 3 & M. Asle Zaeem 2 Two-dimensional and quasi-two-dimensional materials are important nanostructures because of Received: 6 June 2017 their exciting electronic, optical, thermal, chemical and mechanical properties. However, a single- Accepted: 27 October 2017 layer nanomaterial may not possess a particular property adequately, or multiple desired properties Published: xx xx xxxx simultaneously. Recently a new trend has emerged to develop nano-heterostructures by assembling multiple monolayers of diferent nanostructures to achieve various tunable desired properties simultaneously. For example, transition metal dichalcogenides such as MoS2 show promising electronic and piezoelectric properties, but their low mechanical strength is a constraint for practical applications. -
Pressure‐Induced Diels–Alder Reactions in C6H6‐C6F6 Cocrystal
Angewandte Communications Chemie International Edition:DOI:10.1002/anie.201813120 Solid-State Reactions German Edition:DOI:10.1002/ange.201813120 Pressure-Induced Diels–Alder ReactionsinC6H6-C6F6 Cocrystal towards Graphane Structure Yajie Wang,Xiao Dong,Xingyu Tang,Haiyan Zheng,* KuoLi,* Xiaohuan Lin, Leiming Fang, Guangai Sun, Xiping Chen, Lei Xie,Craig L. Bull, Nicholas P. Funnell, Takanori Hattori, Asami Sano-Furukawa, Jihua Chen, Dale K. Hensley,George D. Cody,Yang Ren, Hyun Hwi Lee,and Ho-kwang Mao Abstract: Pressure-induced polymerization (PIP) of aromat- nanothread was reported, which is recognized as an ultra-thin ics is anovel method for constructing sp3-carbon frameworks, sp3-carbon nanowire.[2a,b] Similarly,single-crystal carbon and nanothreads with diamond-like structures were synthe- nitride was synthesized by compressing pyridine slowly.[2c] sized by compressing benzene and its derivatives.Here by Recently,itwas reported that aniline forms diamond-like compressing abenzene-hexafluorobenzene cocrystal (CHCF), polyaniline under external pressure and the hydrogen bond H-F-substituted graphane with alayered structure in the PIP between the NH2 groups is believed to be responsible for product was identified. Based on the crystal structure deter- better crystallinity.[2d] Besides the one-dimensional structure, mined from the in situ neutron diffraction and the intermediate the graphane structure was also obtained by compressing the products identified by gas chromatography-mass spectrum, we aromatics under high-pressure and high-temperature condi- found that at 20 GPaCHCF forms tilted columns with benzene tions.[4] and hexafluorobenzene stackedalternatively,and leads to Thereaction mechanism of these pressure-induced poly- a[4+2] polymer,which then transforms to short-range ordered merizations (PIPs) was explored from various perspectives. -
Benzene-Derived Diamondoid Carbon Nanothreads J
3,0 Tube Polymer 1 Crespi et.al. H Phys Rev Le* Hoffman et.al. JACS 87 (2001) 133, 9023 (2011) C Benzene-Derived Diamondoid Carbon Nanothreads J. V. Badding, T. Fitzgibbons, V. Crespi, E. Xu, N. Alem Pennsylvania State University G. Cody Carnegie Institution of Washington S. K. Davidowski Arizona State University R. Hoffmann, B. Chen Funding: EFRee DOE Energy Cornell University Frontier Research Center M. Guthrie European Spallation Source Carbon Nanomaterial Dimensionality and Hybridization 0-d 1-d 2-d sp2 C60 nanotubes Graphene sp3 ? diamondoids Graphane sp3 Carbon Nanotube Theory Predictions 3,0 Tube Polymer I Hydrogen First evidence that very small sp3 sp3 tube predicted to form during a carbon nanotubes are high pressure reaction of benzene thermodynamically stable. Stojkovic, D. et.al. PRL 87, (2001) Wen, X-D. et.al. JACS 133, 9023 (2011) Benzene Rapid Decompression: Amorphous Product Liquid Benzene Yellow/white solid Diamond 25 GPa anvil cell Diamond gasket aer Anvil cell decompression Decompression rate ≈12-20 GPa/hr Broad spectral features Powder X-Ray Diffraction UV Raman Spectrum 257 nm excitaon Slow Decompression in Larger Volumes SNAP/ORNL Paris- Edinburgh cell allows for large sample volumes 43 cm (mg to tens of mg scale). Decompression rate ≈ 2-7 GPa/hr PCD WC Steel C13 Solid State NMR Reveals sp3 Bonding sp2 sp3 ~80 % sp3/ tetrahedral bonding 20% 80% TEM of Slowly Decompressed Benzene: Nanothreads! 10 nm After Sonication Fitzgibbons et.al., Benzene-derived carbon nanothreads. Nat. Mater. 14, 43-47 (2015) Crystalline order -
Synergistically Chemical and Thermal Coupling Between Graphene Oxide and Graphene Fluoride for Enhancing Aluminum Combustion
Synergistically Chemical and Thermal Coupling between Graphene Oxide and Graphene Fluoride for Enhancing Aluminum Combustion The MIT Faculty has made this article openly available. Please share how this access benefits you. Your story matters. Citation Jiang, Yue et al. "Synergistically Chemical and Thermal Coupling between Graphene Oxide and Graphene Fluoride for Enhancing Aluminum Combustion." ACS Applied Materials and Interfaces 12, 6 (January 2020): 7451–7458 © 2020 American Chemical Society As Published http://dx.doi.org/10.1021/acsami.9b20397 Publisher American Chemical Society (ACS) Version Author's final manuscript Citable link https://hdl.handle.net/1721.1/127994 Terms of Use Creative Commons Attribution-Noncommercial-Share Alike Detailed Terms http://creativecommons.org/licenses/by-nc-sa/4.0/ * Unknown *|ACSJCA | JCA11.2.5208/W Library-x64 | manuscript.3f (R5.0.i2:5002 | 2.1) 2020/01/15 13:43:00 | PROD-WS-118 | rq_1369240 | 1/24/2020 09:25:19 | 8 | JCA-DEFAULT www.acsami.org Research Article 1 Synergistically Chemical and Thermal Coupling between Graphene 2 Oxide and Graphene Fluoride for Enhancing Aluminum Combustion # # # 3 Yue Jiang, Sili Deng, Sungwook Hong, Subodh Tiwari, Haihan Chen, Ken-ichi Nomura, 4 Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta, Michael R. Zachariah, and Xiaolin Zheng* Cite This: https://dx.doi.org/10.1021/acsami.9b20397 Read Online ACCESS Metrics & More Article Recommendations *sı Supporting Information 5 ABSTRACT: Metal combustion reaction is highly exothermic and is used in energetic 6 applications, such as propulsion, pyrotechnics, powering micro- and nano-devices, and 7 nanomaterials synthesis. Aluminum (Al) is attracting great interest in those applications 8 because of its high energy density, earth abundance, and low toxicity.