bluuebunny/crossref_metadata_2025_split huggingface dataset:
(Keynote) Exciton Manipulation in Heterostructures of 2D Materials
Authors: Kis Andras 
Published: May 2020

The discovery of graphene marked the start of research in 2D electronic materials which was expanded in new directions with MoS2 and other layered semiconducting materials. They have a wide range of interesting fundamental properties and potential applications. New opportunities are enabled by the band structure of transition metal dichalcogenides (TMDCs) in which we could harness the valley degree of freedom for valleytronics and next-generation photonics. Long-lived interlayer excitons in van der Waals heterostructures based on TMDCs have recently emerged as a promising platform for this, allowing control over exciton diffusion length, energy and polarisation. I will show here how by using MoS2/WSe2 van der Waals heterostructures, we can realize excitonic transistors with switching action, confinement and control over diffusion length at room temperature in a reconfigurable potential landscape. Heterostructures with a long-range moiré potential such as in MoSe2/WSe2, on the other hand, offer the way to control polarization, emission and wavelength emitted by different optically active regions in the moiré.

References

[1] A. Ciarrocchi, D. Unuchek, A. Avsar, K. Watanabe, T. Taniguchi, A. Kis. Nature Photonics 13, 131–136 (2019).
[2] D. Unuchek, A. Ciarrocchi, A. Avsar, K. Watanabe, T. Taniguchi, A. Kis. Room-Temperature Electrical Control of Exciton Flux in a van Der Waals Heterostructure. Nature 560, 340–344 (2018).
[3] D. Unuchek, A. Ciarrocchi, A. Avsar, Z. Sun, K. Watanabe, T. Taniguchi, A. Kis. Valley-Polarized Exciton Currents in a van Der Waals Heterostructure. Nature Nanotechnology (2019); DOI:10.1038/s41565-019-0559-y.
(Invited) Optical Properties and Active Plasmon Excitations in 2D Materials
Authors: Henrard Luc 
Published: May 2020

The control and tuning of the optical properties of materials and the localization of electromagnetic energy are long standing quests for scientists. Not only it allows to design new classes of adaptive devices such as smart windows but also to perform surface enhanced vibrational spectroscopies such a SERS.
For metallic nanostructured systems, the optical properties are directly related to collective electronic excitation (plasmons) and they depend mainly on the composition, shape and size of the system. Doped semiconductors such as Indium Tin Oxide have been also shown to display active plasmon, i.e., optical excitations that can be easily controlled by an external stimulus, e.g. a static electric potential [1].
In 2D materials, an electrostatic doping is common due to the low density of state at the Fermi energy. Moreover, anisotropy plays a very specific role [2] and surface plasmon became 1D plasmon. In this presentation, based on numerical simulations, we analyze the plasmon excitation associated to edge of 2D materials or to metallic mirror twin boundaries in Transition Metal Dichalcogenide [3]. Doped graphene [4] nanodots or shape engineering in wrinkled structures will also be discussed.
[1] A. Maho et al. Solar Energy Materials and Solar Cells 200 (2019) 110014
[2] B. Majerus et al. Phys. Rev. B 98 (2018) 125419
[3] A. A. Koos et al. J. Phys. Chem 123 (2019) 24855
[4] F. Joucken et al. Phys. Rev. Mat. 3 (2019) 110301
(Invited) Towards Industrialization of Boron Nitride Nanotubes: Purification and Quality Assessment
Authors: Simard Benoit 
Published: May 2020

Boron nitride nanotubes (BNNTs) exhibit a range of properties that are as impressive as their isoelectronic carbon nanotube (CNT) cousins but with unique features including substantially higher thermal stability, wide band gap, transparency in the visible region and better biocompatibility1. Historically, very low production volume has prevented the science and technology of BNNTs from evolving at even a fraction of the pace of CNTs. We have addressed this limitation through the development of an industrially scalable plasma process for the manufacturing of BNNT2,3. Although kg quantities of BNNT can now be synthesized daily, the material contains several impurities which must be removed to exploit fully the superlative properties of BNNT in various applications. In the first part of the talk, I will present our recent advances in purification. We have developed a gas phase process that raises the purity of as-produced BNNT above 90% in a single-step. The process relies on the use of pure or diluted chorine gas at high temperature. The process has been examined at various temperatures, up to 1050 °C, using a range of imaging and spectroscopic assessments. The next step in advancing the field of BNNT is the development of a method for quality (purity + defect density) assessment of bulk samples, an area that has plagued the field of carbon nanotubes for more than 30 years. In the next part of the talk, I will show how the specific and strong interfacial interaction between regio random poly(3-hexyl thiophene) (rra-P3HT) and BNNT leads to the emergence of structured absorption and emission bands that can be used to quantify the relative quality of BNNT samples4,5.
1. J. Augustine, T. Cheung, V. Gies, J. Boughton, M. Chen, Z. J. Jakubek, S. Walker, Y. Martinez-Rubi, B. Simard and S. Zou, Nanoscale Advances, 1, 1914-1923 (2019).
2. K. S. Kim, C. T. Kingston, A. Hrdina, M. B. Jakubinek, J. Guan, M. Plunkett and B. Simard, ACS Nano, 2014, 8, 6211-6220.
3. K. S. Kim, M. Couillard, H. Shin, M. Plunkett, D. Ruth, C. T. Kingston and B. Simard, ACS Nano,12, 884-893 (2018).
4. Y. Martinez-Rubi, Z. J. Jakubek, M. B. Jakubinek, K. S. Kim, F. Cheng, M. Couillard, C. Kingston and B. Simard, J. Phys. Chem., C, 119, 26605 (2015).
5. Y. Martinez Rubi, Z. Jakubek, M. Chen, S. Zou, and B. Simard, ACS Applied Nano, 2, 2054-2063 (2019).
(Invited) How to Use Acoustic Phonons to Enrich the Properties of a Cavity Coupled Nano-Emitter?
Authors: Borel Antoine , Claude Theo , Jeantet Adrien , Lauret Jean-Sébastien , Doorn Stephen K. , Voisin Christophe , Chassagneux Yannick 
Published: May 2020

Carbon nanotubes have emerged as original single photon source in the near IR and in the telecom bands. To further control their emission rate and directionality, individual carbon nanotube can be coupled to a high Q and small mode volume cavity (Purcell effect). Due to the 1D geometry of carbon nanotube, the coupling between localized exciton and acoustic phonon is particularly strong. This coupling can be used as an additional degree of freedom in cavity coupled single emitters; it brings a very rich physics involving non-markovian decoherence, tripartite coupling, and asymmetric energy exchange... In particular the coupling to phonon can be used to “force” the nanotube to emit preferentially at the cavity frequency rather than at its intrinsic transition frequency. We implemented this approach to realize a widely tunable single photon source.
Jeantet et al, PRL 116, 247402 (2016)
Jeantet et al, Nano Lett. 17, 4184 (2017)
He et al, Nat. mat. 17, 663 (2018)
Chassagneux et al, PRB 97, 205124 (2018)
(Invited) Shedding Light on the Chiral Selectivity of Carbon Nanotube Growth
Authors: Tran Huy-Nam , Pimonov Vladimir , Monniello Léonard , Vialla Rémy , Prévot Guillaume , Tahir Saïd , Michel Thierry , Jourdain Vincent 
Published: May 2020

Growing single-walled carbon nanotubes (SWCNTs) with high selectivity for specific chiralities is a matter of intense research activity with important implications in the fields of electronic and optoelectronic devices. However, a fundamental understanding of the dependence of each growth step (nucleation, elongation, chirality change, termination) on the nanotube chirality is still missing to allow a rational design of highly selective growth methods. In this presentation, we will show how a newly developed method of optical imaging [1,2] allows the in situ observation of individual SWCNTs in real conditions of growth (i.e. at atmospheric pressure on a substrate) and with time resolution down to a few tens of ms. Based on these observations, we will report on the dependence of the growth kinetics (rate, lifetime) of individual SWCNTs on the growth conditions (temperature, carbon supply) and on the SWCNT chirality (diameter, chiral angle). We will also report a comprehensive method to model the optical spectra of individual SWCNTs on substrate obtained with the same polarization-based setup [2]. Importantly, this model includes the influence of the commonly used anti-reflection substrates (e.g. SiO2/Si), and of coherent and non-coherent depolarization by the optics. This model allows extracting both the real and imaginary parts of the nanotube susceptibility and improving the chirality assignment when coupled with complementary techniques such as Raman spectroscopy.
[1] Liu et al, Nature Nanotechnology (2013), 8, 917.
[2] Comprehensive model of the optical spectra of carbon nanotubes on a substrate by polarized microscopy, L. Monniello, H.-N. Tran, R. Vialla, G. Prévot, S. Tahir, T. Michel, V. Jourdain, Physical Review B (2019), 99, 115431.

Figure 1
(Invited) Large π-Extended Carbon Crowns and Cylinders As Conjugated Segments of Single-Walled Carbon Nanotubes
Authors: Du Pingwu , Huang Qiang , Wang Jinyi , Wang Shengda , Huang Pingsen 
Published: May 2020

Carbon exists as a variety of nanometer-sized allotropes, such as 0D fullerenes, 1D carbon nanotubes (CNTs), and 2D graphene. So far, it is still a great challenge to construct CNTs with a fixed length and diameter-specified single-chirality.1-2 In this talk, we will discuss synthesis and properties of a series of novel large π-extended molecular carbon crowns and cylinders as a finite model of single-walled CNTs, including TCR, HCR, and their C60 complexes et al.3 The nanographene HBC unit can be facilely embedded into cycloparaphenylene rings by Pd-mediated coupling reactions and the structure can be confirmed by crystal structure.2 Their macrocyclic structures of these nanocarbons have also been characterized using various physical methods, including NMR, STM, PL, crystallographic analysis. The photophysical properties of these molecules are studied in solution and explained by theoretical calculations. In addition, the ring-shaped structure can be inserted into a poly(para-phenylene) backbone as a polymeric segment (PS1) of single-walled CNTs.4 PS1 is achieved by a rationally designed synthesis of a bifunctionalized cyclo-para-phenylene monomer, followed by inserting these ring-shaped units into the conjugated poly(para-phenylene) chain. All these π-extended nanocarbons can provide new insight for the development of bottom-up syntheses of uniform carbon nanotube segments and potential applications in electron- and hole-transport devices.

References

1. Lu, D. P.; Wu, H. T.; Dai, Y. F.; Shi, H.; Shao, X.; Yang, S. F.; Yang, J. L.; Du, P. W. * Commun.
2016, 52, 7164-7167.
2. Lu, D.P.; Zhuang, G. L.; Wu, H. T.; Wang, S.; Yang, S. F.; Du, P. W.* Chem., Int. Ed.
2017, 56, 158-162
3. Cui, S. S.; Zhuang, G. L.; Lu, D. P.; Jia, H. X.; Wang, Y.; Yang, S. F.; Du, P. W. * Chem., Int. Ed.
2018, 57, 9330-9335.
4. Qiang Huang,Q.; Zhuang, G. L.; Jia,H.X.; Qian, M. M.;Cui, S. S.; Yang, S. F.; Du, P. W.*. Chem., Int. Ed., 2019, 58, 6244-6249.
5. Qiang Huang,Q.; Zhuang, G. L.; Zhang, M. M.; Wang, J. Y.; Wang, S. D.; Wu, Y. Y.; Yang, S. F.; Du, P. W.*. Am. Chem. Soc., 2019, DOI: 10.1021/jacs.9b10358.

Figure 1
(Invited) Dimerization of C30H10 Employing the Diels-Alder Cycloaddition Reaction
Authors: Richaud Arlette , Lopez Maria J. , Mojica Martha , Alonso Julio A. , Méndez Francisco 
Published: May 2020

The chemical synthesis of fullerenes is still a challenge.[1-4] The development of new techniques is needed to reduce the production cost and the availability of those materials.[5-10] In this work we study, using the density functional theory (DFT) and the nudge elastic band (NEB) method, a route to obtain the C60 from two pentacyclopentacorannulene C30H10 fragments. The accessible precursor of C60, is a C60H20 molecule, which is a C60 fullerene wrapped by a double belt of twenty H atoms forming C-H bonds around the equatorial plane of C60 (the poles are occupied by the central pentagons of the two fragments). The proposed C60H20 molecule has a synthetic analogue reported by Boltalina et al.[11] Our theoretical justification for the dimerization of the C30H10 fragments supports the achievable synthetic route for the C60.
References.

1.- Diederich, Y. Rubin, Angew. Chem. Int. Ed., 1992, 31, 1101.

2.- T. Scott, Angew. Chem. Int. Ed., 2004, 43, 4994.

3.- M. Tsefrikas, L. T. Scott, Chem.
Rev., 2006, 106, 4868.

4.- Mojica, F., J. A. Alonso, J. Phys. Org. Chem., 2013, 26, 526.

5.- T. Scott, M. M. Boorum, B. J. McMahon, S. Hagen, J. Mack, J. Blank, H. Wegner, A. de Meijere, Science, 2002, 295, 1500.

6.- Otero, G. Biddau, C. Sánchez-Sánchez, R. Caillard, M. F. López, C. Rogero, F. J. Palomares, N. Cabello, M. A. Basanta, J. Ortega, J. Méndez, A. M. Echavarren, R. Pérez, B. Gómez-Lor, J. A. Martín-Gago, Nature, 2008, 454, 865.

7.- B. M. Ansems, L. T. Scott, J. Am.
Chem. Soc., 2000, 122, 2719.

8.- H. F. Bunz, Y. Rubin, Y. Tobe, Chem. Soc. Rev., 1999, 28,107.

9.- L. Chapman, M. R. Engel, J. P. Springer, J. C. Clardy, J. Am. Chem. Soc., 1971, 93, 6696

10.- T. Scott, M. A. Petrukhina, Preface in Fragments of Fullerenes and Carbon Nanotubes: Designed Synthesis, Unusual Reactions and Coordination Chemistry; L. T. Scott, M. A. Petrukhina, Eds.; John Wiley & Sons Inc., Hoboken, New Jersey, 2012, pp. vii–x.

11.- V. Boltalina, V. Yu. Markov, P. A. Troshin, A. D. Darwish, J. M. Street, and R. Taylor, Angew. Chem. Int. Ed., 2001, 40, 787.
(Invited) Electronic Structure and Bonding in Endohedral Actinidofullerenes
Authors: Rodriguez-Fortea Antonio , Morales-Martinez Roser , Moreno-Vicente Antonio , Dunk Paul W. , Chen Ning , Echegoyen Luis , Poblet Josep M. 
Published: May 2020

Endohedral metallofullerenes (EMF), i.e. fullerenes that contain metal atoms or metal clusters in their inner void space, have been intensively studied since the isolation of La@C82.1 In 1999, the synthesis and characterization of the first clusterfullerene Sc3N@C80 using the Krätschmer-Huffman method was a milestone in the field of EMF.2 Since this pioneering work, many EMF have been obtained and characterized,3 among them actinide endofullerenes,4 as for example the dimetallic U2@C80.5 In this compound, the metal-metal distance from X-ray diffraction was found to be ranged between 3.46 and 3.79 Å, quite a long bond distance to suppose the presence of a strong metal-metal bond, as observed previously for dimetallic (lanthanide)2@C2n. This experimental confirmation of a weak U-U bonding interaction in a molecular structure is certainly very encouraging, but we were wondering whether it is possible to isolate a compound with a strong U-U bond or not. In this communication we analyze the characteristic electronic structure of a family of endohedral actinidofullerenes related to U2@C80 and discuss about the challenging task of synthesizing new systems showing strong actinide-actinide interaction in the confined space of a fullerene.
References
1. Chai, Y.; Cuo, T.; Jin, C.; Haufler, R. E.; Felipe Chibante, L. P.; Fure, J.; Wang, L.; Alford, J. M.; Smalley, R. E. J. Phys. Chem.
1991, 95, 7564-7568.
2. Stevenson, S.; Rice, G.; Glass, T.; Harich, K.; Cromer, F.; Jordan, M. R.; Craft, J.; Hadju, E.; Bible, R.; Olmstead, M. M.; Maitra, K.; Fisher, A. J.; Balch, A. L.; Dorn, H. C., Nature
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3. Popov, A. A.; Yang, S.; Dunsch, L. Chem. Rev.
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4. a) Wang, Y.; Morales-Martínez, R. et al.J. Am. Chem. Soc.,
2017, 139, 5110-5116; b) Cai, W. C.; Morales-Martínez, R. et al. Chem. Sci.
2017, 8, 5282-5290; c) Cai, W.; Abella, L. et al.J. Am. Chem. Soc.,
2018, 140, 18039-18050.
5. Zhang, X.; Wang, Y.; Morales-Martínez, R.; Zhong, J.; de Graaf, C.; Rodríguez-Fortea, A.; Poblet, J. M.; Echegoyen, L.; Feng, L.; Chen, N. J. Am. Chem. Soc.,
2018, 140, 3907-3915.
(Invited) Synthesis and Properties of Endohedral Open-Cage Fullerenes
Authors: Murata Yasujiro 
Published: May 2020

Open-cage fullerene derivatives are fascinating molecules because a small molecule can be introduced inside the fullerene cage through the opening. When the NMR active molecules are introduced inside the open-cage fullerene derivatives, the resulting endohedral species are used for the study with the encapsulated molecule as a magnetic probe.
First, the regioselectivity in the Diels.Alder reaction of an unsymmetrical open-cage C60 derivative with anthracene was studied. By using an encapsulated H2 molecule as a magnetic probe, the product population was successfully evaluated in detail, indicating the formation of approximately ten compounds as major components. The NICS calculations showed a close resemblance to the observed 1H NMR spectrum, which allowed for a facile characterization of the products. Theoretical studies on the formation of all 29 possible anthracene adducts were also performed. The results indicated that the regioselectivity is strongly governed by steric factors, values of the frontier orbital coefficients, and thermodynamic stabilities. Single-crystal X-ray analysis of the dominant compound revealed the supramolecular architecture between the anthracene moiety and the Π-sphere of a neighboring molecule.[1]
Second, The H2O/CH2=CH2-type hydrogen-bonding model was experimentally constructed using a water complex of an open-cage C60 derivative, in which an olefinic double bond and a single molecule of H2O are geometrically confined. To investigate OH/Π-type H-bonding, we performed 1H NMR spectroscopic studies that demonstrated the monotonic downfield shift of the proton signal corresponding to H2O with remarkable rotational perturbation by lowering the temperature. From the temperature dependence of the angular momentum correlation time, the interaction energy was quantitatively estimated to be ca. 0.3 kcal/mol. The computational studies were thoroughly conducted to clarify its inherent nature. As a consequence, the orientation of H2O was found to play a prominent role in varying the bonding strength as well as contribution from the electrostatic attraction and orbital-orbital interaction significantly driven by the favorable orbital overlap.[2]
[1] Probing the Regioselectivity by Encapsulated H2: Diels-Alder Reaction of a Cage-Opened C60 Derivative with Anthracene, Hashikawa, Y.; Murata, Y. Chem. Eur. J. 2019, 25, 2482-2485.
[2] H2O/Olefinic-Π Interaction inside a Carbon Nanocage, Hashikawa, Y.; Murata, Y. J. Am. Chem. Soc. 2019, 141, 12928-12938.
(Invited) Creation of High-Performance Perovskite Solar Cells Using Lithium Ion Endohedral Fullerenes
Authors: Matsuo Yutaka 
Published: May 2020

It was started to be realized that lithium-ion endohedral fullerenes are useful materials for electronic devices as shown by Li+@C60 enhancing performance in perovskite solar cells.1) Li+@C60 has high electron affinity, and has oxidation ability to take an electron from organic semiconductors instantly only by mixing these materials. Hereat Li+@C60 has been expected as a p-type dopant to improve performance of organic semiconductors. On the other hand, our next target is a neutral lithium endohedral fullerene (Li@C60) as an n-type dopant for electron donation. To date, Li@C60 has been prepared through electrolysis as electrochemical reduction. This method requires us to use electrochemical instruments and elaborate technique to control current/voltage and temperature by a skillful researcher. To solve this issue, we investigated the synthesis of Li@C60 by facile and scalable chemical reduction of Li+@C60.2)

Treatment of Li+@C60 with decamethylferrocene as a commercially available mild chemical reductant afforded the neutral Li@C60 in 81% isolated yield. The product exists as mainly dimer form in solid state containing minute amount the monomer form, which part is ESR active. XRD, ESR, and Raman spectroscopic measurements revealed characteristics of this solid. In this talk, we will introduce fabrication and performance of organic thin-film devices involving Li+@C60 and/or Li@C60.1) It was found that Li@C60, which was derived from Li+@C60 with accepting an electron from organic semiconducting molecules, scavenged intruding oxygen molecules into the devices to improve the lifetime of the organic semiconducting devices.3,4)

【References】
1) I. Jeon, H. Ueno, S. Seo, K. Aitola, R. Nishikubo, A. Saeki, H. Okada, G. Boschloo, S. Maruyama, Y. Matsuo, Angew. Chem. Int. Ed. 2018, 57, 4607.
2) H. Okada, H. Ueno, Y. Takabayashi, T. Nakagawa, M. Vrankić, J. Arvanitidis, T. Kusamoto, K. Prassides, Y. Matsuo, Carbon
2019, 53, 467.
3) H. Ueno, I. Jeon, H.-S. Lin, A. Thote, T. Nakagawa, H. Okada, S. Izawa, M. Hiramoto, H. Daiguji, S. Maruyama, Y. Matsuo, Chem. Commun.
2019, 55, 11837
4) I. Jeon, A. Shawky, H.-S. Lin, S. Seo, H. Okada, J.-W. Lee, A. Pal, S. Tan, A. Anisimov, E. I. Kauppinen, Y. Yang, S. Manzhos, S. Maruyama, Y. Matsuo, J. Am. Chem. Soc.
2019, 141, 16553.
(Invited) Preparation of Open-Cage Fullerene Derivatives By Rhodium(I)-Catalyzed [2+2+2] Cycloaddition of Diynes and C60: Synthesis, Computational Studies and Application in Perovskite Solar Cells
Authors: Artigas Albert , Castro Edison , Pla-Quintana Anna , Echegoyen Luis , Lledó Agustí , Roglans Anna , Solà Miquel 
Published: May 2020

Since the discovery of C60 in 1985 [1], fullerenes have attracted the attention of chemists due to their unique structure, properties and reactivity, along with their potential applications in a variety of fields ranging from materials science to biomedicine [2–3]. The preparation of cyclohexadiene-fused C60 derivatives can be achieved by [2+2+2] cycloaddition reactions of C60 with alkynes [4–6]. This particular class of fullerene derivatives is interesting from the synthetic point of view because they can be converted into the corresponding open-cage bis(fulleroids) when subjected to photochemical conditions [7]. Based on our previous theoretical DFT study that showed the viability of a rhodium-catalyzed [2+2+2] cycloaddition reaction of two alkynes and C60 [8], here we report the first example of [2+2+2] cycloaddition involving C60 and diynes under catalytic conditions promoted by a rhodium(I) catalyst, which leads to the formation of a series of bis(fulleroids) [9]. The process takes place in a single step and no photoexcitation is required. The process mechanism has been studied by means of DFT calculations, proving that the cyclohexadiene-fused intermediate resulting from a [2+2+2] cycloaddition evolves into the final product through a Rh-catalyzed di-π-methane rearrangement. Finally, the electrochemical behavior of the synthesized products has also been studied, as well as their performance as electron transporting materials (ETMs) in perovskite solar cells (PSCs) [10].

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[10] Castro, E.; Artigas, A.; Pla-Quintana, A.; Roglans, A.; Liu, F.; Perez, F.; Lledó, A.; Zhu, X.-Y.; Echegoyen, L. Materials
2019, 12, 1314.

Figure 1