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5. Optimization of the JUNO liquid scintillator composition using a Daya Bay antineutrino detector

Author

Abusleme, A., Adam, T., Ahmad, S., Aiello, S., Akram, M., Ali, N., An, F.P., An, G.P., An, Q., Andronico, G., Anfimov, N., Antonelli, V., Antoshkina, T., Asavapibhop, B., de André, J.P.A.M., Babic, A., Balantekin, A.B., Baldini, W., Baldoncini, M., Band, H.R., Barresi, A., Baussan, E., Bellato, M., Bernieri, E., Biare, D., Birkenfeld, T., Bishai, M., Blin, S., Blum, D., Blyth, S., Bordereau, C., Brigatti, A., Brugnera, R., Budano, A., Burgbacher, P., Buscemi, M., Bussino, S., Busto, J., Butorov, I., Cabrera, A., Cai, H., Cai, X., Cai, Y.K., Cai, Z.Y., Cammi, A., Campeny, A., Cao, C.Y., Cao, G.F., Cao, J., Caruso, R., Cerna, C., Chang, J.F., Chang, Y., Chen, H.S., Chen, P.A., Chen, P.P., Chen, S.M., Chen, S.J., Chen, X.R., Chen, Y.W., Chen, Y.X., Chen, Y., Chen, Z., Cheng, J., Cheng, Y.P., Cheng, Z.K., Chepurnov, A., Cherwinka, J.J., Chiarello, F., Chiesa, D., Chimenti, P., Chu, M.C., Chukanov, A., Chuvashova, A., Clementi, C., Clerbaux, B., Di Lorenzo, S. Conforti, Corti, D., Costa, S., Dal Corso, F., Cummings, J.P., Dalager, O., De La Taille, C., Deng, F.S., Deng, J.W., Deng, Z., Deng, Z.Y., Depnering, W., Diaz, M., Ding, X.F., Ding, Y.Y., Dirgantara, B., Dmitrievsky, S., Diwan, M.V., Dohnal, T., Donchenko, G., Dong, J.M., Dornic, D., Doroshkevich, E., Dove, J., Dracos, M., Druillole, F., Du, S.X., Dusini, S., Dvorak, M., Dwyer, D.A., Enqvist, T., Enzmann, H., Fabbri, A., Fajt, L., Fan, D.H., Fan, L., Fang, C., Fang, J., Fatkina, A., Fedoseev, D., Fekete, V., Feng, L.C., Feng, Q.C., Fiorentini, G., Ford, R., Formozov, A., Fournier, A., Franke, S., Gallo, J.P., Gan, H.N., Gao, F., Garfagnini, A., Göttel, A., Genster, C., Giammarchi, M., Giaz, A., Giudice, N., Giuliani, F., Gonchar, M., Gong, G.H., Gong, H., Gorchakov, O., Gornushkin, Y., Grassi, M., Grewing, C., Gromov, M., Gromov, V., Gu, M.H., Gu, W.Q., Gu, X.F., Gu, Y., Guan, M.Y., Guardone, N., Gul, M., Guo, C., Guo, J.Y., Guo, L., Guo, W.L., Guo, X.H., Guo, Y.H., Guo, Z., Haacke, M., Hackenburg, R.W., Hackspacher, P., Hagner, C., Han, R., Han, Y., Hans, S., He, M., He, W., Heeger, K.M., Heinz, T., Heng, Y.K., Herrera, R., Higuera, A., Hong, D.J., Hor, Y.K., Hou, S.J., Hsiung, Y.B., Hu, B.Z., Hu, H., Hu, J.R., Hu, J., Hu, S.Y., Hu, T., Hu, Z.J., Huang, C.H., Huang, G.H., Huang, H.X., Huang, Q.H., Huang, W.H., Huang, X.T., Huang, Y.B., Huber, P., Hui, J.Q., Huo, L., Huo, W.J., Huss, C., Hussain, S., Insolia, A., Ioannisian, A., Ioannisyan, D., Isocrate, R., Jaffe, D.E., Jen, K.L., Ji, X.L., Ji, X.P., Ji, X.Z., Jia, H.H., Jia, J.J., Jian, S.Y., Jiang, D., Jiang, X.S., Jin, R.Y., Jing, X.P., Johnson, R.A., Jollet, C., Jones, D., Joutsenvaara, J., Jungthawan, S., Kalousis, L., Kampmann, P., Kang, L., Karagounis, M., Kazarian, N., Kettell, S.H., Khan, A., Khan, W., Khosonthongkee, K., Kinz, P., Kohn, S., Korablev, D., Kouzakov, K., Kramer, M., Krasnoperov, A., Krokhaleva, S., Krumshteyn, Z., Kruth, A., Kutovskiy, N., Kuusiniemi, P., Lachacinski, B., Lachenmaier, T., Landini, C., Langford, T.J., Lee, J., Lee, J.H.C., Lefevre, F., Lei, L., Lei, R., Leitner, R., Leung, J., Li, D.M., Li, F., Li, H.T., Li, H.L., Li, J., Li, J.J., Li, J.Q., Li, K.J., Li, M.Z., Li, N., Li, Q.J., Li, R.H., Li, S.C., Li, S.F., Li, S.J., Li, T., Li, W.D., Li, W.G., Li, X.M., Li, X.N., Li, X.L., Li, X.Q., Li, Y., Li, Y.F., Li, Z.B., Li, Z.Y., Liang, H., Liang, J.J., Liebau, D., Limphirat, A., Limpijumnong, S., Lin, C.J., Lin, G.L., Lin, S.X., Lin, T., Lin, Y.H., Ling, J.J., Link, J.M., Lippi, I., Littenberg, L., Littlejohn, B.R., Liu, F., Liu, H., Liu, H.B., Liu, H.D., Liu, H.J., Liu, H.T., Liu, J.C., Liu, J.L., Liu, M., Liu, Q., Liu, R.X., Liu, S.Y., Liu, S.B., Liu, S.L., Liu, X.W., Liu, Y., Lokhov, A., Lombardi, P., Loo, K., Lorenz, S., Lu, C., Lu, H.Q., Lu, J.B., Lu, J.G., Lu, S.X., Lu, X.X., Lubsandorzhiev, B., Lubsandorzhiev, S., Ludhova, L., Luk, K.B., Luo, F.J., Luo, G., Luo, P.W., Luo, S., Luo, W.M., Lyashuk, V., Ma, Q.M., Ma, S., Ma, X.B., Ma, X.Y., Ma, Y.Q., Malyshkin, Y., Mantovani, F., Mao, Y.J., Mari, S.M., Marini, F., Marium, S., Marshall, C., Martellini, C., Martin-Chassard, G., Caicedo, D.A. Martinez, Martini, A., Martino, J., Mayilyan, D., McDonald, K.T., McKeown, R.D., Müller, A., Meng, G., Mednieks, I., Meng, Y., Meregaglia, A., Meroni, E., Meyhöfer, D., Mezzetto, M., Miller, J., Miramonti, L., Monforte, S., Montini, P., Montuschi, M., Morozov, N., Muralidharan, P., Napolitano, J., Nastasi, M., Naumov, D.V., Naumova, E., Nemchenok, I., Nikolaev, A., Ning, F.P., Ning, Z., Nunokawa, H., Oberauer, L., Ochoa-Ricoux, J.P., Olshevskiy, A., Ortica, F., Pan, H.R., Paoloni, A., Park, J., Parkalian, N., Parmeggiano, S., Patton, S., Payupol, T., Pec, V., Pedretti, D., Pei, Y.T., Pelliccia, N., Peng, A.G., Peng, H.P., Peng, J.C., Perrot, F., Petitjean, P.A., Rico, L.F. Pineres, Popov, A., Poussot, P., Pratumwan, W., Previtali, E., Pun, C.S.J., Qi, F.Z., Qi, M., Qian, S., Qian, X., Qian, X.H., Qiao, H., Qin, Z.H., Qiu, S.K., Rajput, M., Ranucci, G., Raper, N., Re, A., Rebber, H., Rebii, A., Ren, B., Ren, J., Reveco, C.M., Rezinko, T., Ricci, B., Robens, M., Roche, M., Rodphai, N., Rohwer, L., Romani, A., Rosero, R., Roskovec, B., Roth, C., Ruan, X.C., Ruan, X.D., Rujirawat, S., Rybnikov, A., Sadovsky, A., Saggese, P., Salamanna, G., Sangka, A., Sanguansak, N., Sawangwit, U., Sawatzki, J., Sawy, F., Schever, M., Schuler, J., Schwab, C., Schweizer, K., Selivanov, D., Selyunin, A., Serafini, A., Settanta, G., Settimo, M., Shahzad, M., Shi, G., Shi, J.Y., Shi, Y.J., Shutov, V., Sidorenkov, A., Šimkovic, F., Sirignano, C., Siripak, J., Sisti, M., Slupecki, M., Smirnov, M., Smirnov, O., Sogo-Bezerra, T., Songwadhana, J., Soonthornthum, B., Sotnikov, A., Sramek, O., Sreethawong, W., Stahl, A., Stanco, L., Stankevich, K., Štefánik, D., Steiger, H., Steiner, H., Steinmann, J., Stender, M., Strati, V., Studenikin, A., Sun, G.X., Sun, L.T., Sun, J.L., Sun, S.F., Sun, X.L., Sun, Y.J., Sun, Y.Z., Suwonjandee, N., Szelezniak, M., Tang, J., Tang, Q., Tang, X., Tietzsch, A., Tkachev, I., Tmej, T., Treskov, K., Troni, G., Trzaska, W., Tse, W.-H., Tull, C.E., Tuve, C., van Waasen, S., Boom, J. van den, Vassilopoulos, N., Vedin, V., Verde, G., Vialkov, M., Viaud, B., Viren, B., Volpe, C., Vorobel, V., Votano, L., Walker, P., Wang, C., Wang, C.H., Wang, E., Wang, G.L., Wang, J., Wang, K.Y., Wang, L., Wang, M.F., Wang, M., Wang, N.Y., Wang, R.G., Wang, S.G., Wang, W., Wang, W.S., Wang, X., Wang, X.Y., Wang, Y., Wang, Y.F., Wang, Y.G., Wang, Y.M., Wang, Y.Q., Wang, Z., Wang, Z.M., Wang, Z.Y., Watcharangkool, A., Wei, H.Y., Wei, L.H., Wei, W., Wei, Y.D., Wen, L.J., Whisnant, K., White, C.G., Wiebusch, C., Wong, S.C.F., Wong, H.L.H., Wonsak, B., Worcester, E., Wu, C.H., Wu, D.R., Wu, F.L., Wu, Q., Wu, W.J., Wu, Z., Wurm, M., Wurtz, J., Wysotzki, C., Xi, Y.F., Xia, D.M., Xie, Y.G., Xie, Z.Q., Xing, Z.Z., Xu, D.L., Xu, F.R., Xu, H.K., Xu, J.L., Xu, J., Xu, M.H., Xu, T., Xu, Y., Xue, T., Yan, B.J., Yan, X.B., Yan, Y.P., Yang, A.B., Yang, C.G., Yang, H., Yang, J., Yang, L., Yang, X.Y., Yang, Y.F., Yang, Y.Z., Yao, H.F., Yasin, Z., Ye, J.X., Ye, M., Yegin, U., Yeh, M., Yermia, F., Yi, P.H., You, Z.Y., Young, B.L., Yu, B.X., Yu, C.X., Yu, C.Y., Yu, H.Z., Yu, M., Yu, X.H., Yu, Z.Y., Yuan, C.Z., Yuan, Y., Yuan, Z.X., Yuan, Z.Y., Yue, B.B., Zafar, N., Zambanini, A., Zeng, P., Zeng, S., Zeng, T.X., Zeng, Y.D., Zhan, L., Zhang, C., Zhang, F.Y., Zhang, G.Q., Zhang, H.H., Zhang, H.Q., Zhang, J., Zhang, J.B., Zhang, J.W., Zhang, P., Zhang, Q.M., Zhang, T., Zhang, X.M., Zhang, X.T., Zhang, Y., Zhang, Y.H., Zhang, Y.M., Zhang, Y.P., Zhang, Y.X., Zhang, Y.Y., Zhang, Z.J., Zhang, Z.P., Zhang, Z.Y., Zhao, F.Y., Zhao, J., Zhao, R., Zhao, S.J., Zhao, T.C., Zheng, D.Q., Zheng, H., Zheng, M.S., Zheng, Y.H., Zhong, W.R., Zhou, J., Zhou, L., Zhou, N., Zhou, S., Zhou, X., Zhu, J., Zhu, K.J., Zhuang, H.L., Zong, L., and Zou, J.H.

Published
2021
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25. Hydrogen elimination from the dissociation of methyl-substituted silanes on tungsten and tantalum surfaces

Author

Toukabri, R. and Shi, Y.J.

Subjects
Chemical vapor deposition -- Analysis, Tungsten -- Analysis, Mass spectrometry -- Analysis, Ionization -- Analysis, Silane -- Analysis -- Chemical properties, Chemistry
Abstract

The elimination of [H.sub.2] from the dissociation of four methyl-substituted silane molecules, including monomethylsilane (MMS), dimethylsilane (DMS), trimethylsilane (TriMS), and tetramethylsilane (TMS), on a heated tungsten or tantalum filament surface has been studied using laser ionization mass spectrometry. Two complementary ionization methods, i.e., single photon ionization (SPI) using a vacuum ultraviolet wavelength at 118 nm (10.5 eV) and a dual ionization source incorporating both 10.5 eV SPI and laser-induced electron ionization, were employed to detect the production of [H.sub.2]. Examination of the intensity of the [H.sub.2.sup.+] peak from the four molecules has shown that it increases with temperature until reaching a plateau at around 2000- 2100°C on both tungsten and tantalum filaments. These methyl-substituted silanes are dissociatively adsorbed on tungsten and tantalum surfaces by Si-H bond cleavage, and as the temperature is raised, by C-H bond rupture. Experiments with the isotopomers of MMS, DMS, and TriMS have shown that the formation of [H.sub.2] follows the Langmuir-Hinshelwood mechanism where two adsorbed hydrogen atoms on metal surfaces recombine to produce [H.sub.2]. The determined activation energy ([E.sub.a]) for [H.sub.2] formation from MMS, DMS, and TriMS, in the range of 58.2-93.4 kJ [mol.sup.-1], has been found to increase with the number of methyl substitutions in the precursor molecule. Comparison of these [E.sub.a] values with the reported values of 51.1-78.8 kJ [mol.sup.-1] for the methyl radical formation from the same three precursor molecules has led to the conclusion that the initial Si-H bond cleavage in the dissociative adsorption of MMS, DMS, and TriMS is the rate-limiting step for the formation of both [H.sub.2] molecules and - C[H.sub.3] radicals. Key words: [H.sub.2] elimination, methyl-substituted silanes, tungsten and tantalum surfaces, laser ionization mass spectrometry, chemical vapor deposition. Nous avons etudie, au moyen de la spectrometrie de masse par ionisation laser, l'elimination d'[H.sub.2] resultant de la dissociation de quatre molecules a substituants methyliques, le monomethylsilane (MMS), le dimethylsilane (DMS), le trimethylsilane (TriMS) et le tetramethylsilane (TMS), chauffees sur une surface de filament de tungstene ou de tantale. Nous avons employe deux methodes d'ionisation complementaires, soit l'ionisation monophotonique a l'aide de rayons ultraviolets sous vide a la longueur d'onde de 118 nm (10,5 eV) et l'ionisation a deux sources integrant a la fois l'ionisation monophotonique a 10,5 eV et l'ionisation electronique induite par laser, en vue de detecter la production de [H.sub.2]. En examinant l'intensite des pics d'[H.sub.2.sup.+] des quatre molecules, nous avons observe que celle-ci augmente en fonction de la temperature, jusqu';! ce que cette derniere atteigne un plateau se situant autour de 2000-2100°C, tant pour les filaments de tungstene que pour ceux de tantale. Ces silanes a substituants methyliques sont adsorbes sur les surfaces de tungstene et de tantale par dissociation de la liaison Si-H et, a mesure que la temperature augmente, par rupture de la liaison C-H. Des experiences menees avec les isotopomeres de MMS, DMS et TriMS ont indique que la formation d'[H.sub.2] se produit selon le mecanisme de Langmuir-Hinshelwood, oU deux atomes d'hydrogene adsorbes sur la surface des metaux se recombinent pour former d'[H.sub.2]. Nous avons determine que l'energie d'activation ([E.sub.a]) pour la formation d'[H.sub.2] a partir du MMS, du DMS et du TriMS se situait entre 58,2 et 93,4 kJ [mol.sup.-1] et avons observe qu'elle augmentait avec le nombre de substituants methyliques sur la molecule de depart. En comparant ces valeurs d'[E.sub.a] avec les valeurs publiees (51,1-78,8 kJ [mol.sup.-1]) pour la formation du radical methyle a partir des memes molecules de depart, nous sommes arrives a la conclusion que le clivage initial de la liaison Si-H dans le processus d'adsorption dissociative du MMS, du DMS et du TriMS constitue l'etape limitante de la formation des molecules d'[H.sub.2] et des radicaux -C[H.sub.3]. [Traduit par la Redaction] Mots-cles : elimination d'hydrogene moleculaire, silanes a substituants methyliques, surfaces de tungstene et de tantale, spectrometrie de masse par ionisation laser, depot chimique en phase vapeur., Introduction Hydrogen, especially atomic hydrogen, is perhaps the most critical determinant for the purity and growth rate of diamond thin films by chemical vapor deposition (CVD) methods. (1) Several groups [...]

Published
2016
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32. Recent progress on divertor operations in EAST

Author

Guo, H.Y., Gao, X., Li, J., Luo, G.-N., Zhu, S., Chang, J.F., Chen, Y.P., Gao, W., Gong, X.Z., Hu, Q.S., Li, Q., Liu, S.C., Ming, T.F., Ou, J., Shi, Y.J., Wan, B.N., Wang, D.S., Wang, H.Q., Wang, J., Wu, Z.W., Xiao, B.J., Xu, Q., Zhang, L., and Zhang, W.

Published
2011
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38. Asymmetrically distorted structures of monosilacyclobutane and disilacyclobutane radical cations studied by ab initio and density functional theories

Author

Cai, Z.J. and Shi, Y.J.

Subjects
Cations -- Structure -- Chemical properties -- Research, Chemical structure -- Research, Chemistry
Abstract

The geometrical and electronic structures of a series of six monosilacyclobutane and 1,3-disilacyclobutane radical cations were systematically studied using ab initio and density functional theories. It was shown that all six radical cations possess an asymmetrically distorted structure in their ground electronic states. In the asymmetrically distorted [C.sub.1] structure of monosilacyclobutane cations, one Si--C bond was elongated and the other was shortened. For the disilacyclobutane cations, two ring bonds were elongated and the other two contracted. The asymmetrical distortion was enhanced by exocyclic methyl substitutions and weakened by endocyclic Si substitution. The unpaired electron was localized mainly in the elongated cc(Si--C) ring bond(s) in all six cations. Studies of the excited electronic states of the cations provided strong support that the asymmetrical distortion in the four-membered-ring cations originates from the second-order Jahn--Teller effect. It was found that the puckered ring structures in the monosilacyclobutane molecules were maintained upon ionization, whereas 1,3-disilacyclobutane cations changed to a planar ring structure. Examination of the potential energy surfaces of all six cations showed that the Si--C ring bond elongation is the main contributor to the significant difference in the geometry change between monosilacyclobutane and disilacyclobutane species upon ionization. Key words: silacyclobutane, radical cation, second-order Jahn--Teller effect, potential energy surfaces, structures. Faisant appel a des calculs theoriques ab initio et d'autres derives de la theorie de la fonctionnelle de la densite, on a fait une etude systematique des structures geometriques et electroniques d'une serie de six cations radicaux derives de monosilacyclobutanes et 1,3-disilacyclobutanes. Il a ete permis de demontre que, dans leurs etats electroniques fondamentaux, ces six cations radicaux possedent une structure avec distorsion asymetrique. Dans la structure [C.sub.1] a distorsion asymetrique des cations radicaux du monosilacyclobutane, une des liaisons Si--C est allongee alors que l'autre est raccourcie. Dans le cas des cations radicaux du disilacyclobutane, les deux liaisons du cycle sont allongees alors que les deux autres sont contractees. La distorsion asymetrique est rehaussee par des substitutions de groupes methyles exocycliques et affaiblie par une substitution endocyclique du silicium. Pour chacun des six cations radicaux, l'electron non apparie est principalement localise dans les liaisons allongees c (Si--C) du cycle. Les etudes des etats electroniques excites des cations radicaux supportent fortement la distorsion dans les cations radicaux des cycles a quatre chainons qui trouvent leur origine dans l'effet Jahn--Teller du deuxieme ordre. On a trouve que les structures repliees des cycles des molecules de monosilacyclobutane sont maintenues lors de l'ionisation alors que celles des cations radicaux derives du 1,3-disilacyclobutane se transforment en une structure dans laquelle le cycle est plan. L'examen des surfaces d'energie potentielle des six cations radicaux montre que l'elongation de la liaison Si--C du cycle est la principale cause de la difference significative dans le changement de geometrie entre les especes monosilacyclobutanes et disilacyclobutanes lors de leur ionisation. Mots-cles : silacyclobutane, cation radical, effet Jahn--Teller du deuxieme ordre, surfaces d'energie potentielle, structures. [Traduit par la Redaction], Introduction The study of the geometrical and electronic structures of alkane radical cations has attracted much attention over the past few decades because of their fundamental chemical importance. (1-3) A [...]

Published
2012
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50. Gas-phase reaction chemistry of 1,1-dimethyl-1-silacyclobutane as a precursor gas in the hot-wire chemical vapor deposition process--formation of tetramethylsilane and trimethylsilane

Author

Tong, L. and Shi, Y.J.

Subjects
Chemical vapor deposition -- Research -- Chemical properties, Methyl groups -- Research -- Chemical properties, Chemical reactions -- Research -- Chemical properties, Butane -- Chemical properties -- Research, Chemistry
Abstract

The secondary gas-phase reaction products of 1,1-dimethyl-1-silacyclobutane (DMSCB) and its isotopomer, 1,1-di(perdeuteratedmethyl)-1-silacyclobutane (DMSCB-[d.sub.6]), in a hot-wire chemical vapour deposition reactor were investigated using vacuum UV laser single photon ionization with time-of-flight mass spectrometry. Dimethylsilylene, one of the primary decomposition products, undergoes π-type addition across the double and triple C-C bond and an insertion reaction into the Si-H bond. A short-chain reaction mechanism, initiated by methyl radicals produced in the primary decomposition, is found to exist for both the source DMSCB molecule and its stable secondary products. The formation of tetramethylsilane and trimethylsilane via the reaction of 1,1-dimethylsilene with a methyl radical and an [H.sub.2] molecule, respectively, has been demonstrated. These are two new reaction channels involving 1,1-dimethylsilene in secondary gas-phase reactions. Key words: 1,1-dimethyl-1-silacyclobutane, gas-phase reaction chemistry, hot-wire chemical vapour deposition, vacuum UV laser single photon ionization mass spectrometry, silene, silylene. Faisant appel a la spectromeetrie de masse en temps de vol avec ionisation par un photon unique d'un laser UV a vide, on a etudie la nature des produits secondaires de la reaction du 1,1-dimeethyl-1-silacyclobutane (DMSCB) et de son isotopomere, le 1,1-di(perdeuteromeethyl)-1-silacyclobutane (DMSCB-[d.sub.6]) dans un reacteur a depot de vapeur chimique sur un filament chauffe. Le dimethylsilylene, un des produits de decomposition primaire, subit une addition de type-π sur les doubles et triples liaisons C-C et une reaction d'insertion dans la liaison Si-H. On a trouve qu'il existe un mecanisme reactionnel a courte chaine, initie par les radicaux methyles produits dans la decomposition primaire, tant pour la molecule source DMSCB que pour ses produits secondaires stables. On a demontre qu'il y a formation de tetramethylsilane et de trimethylsilane par le biais de la reaction du 1,1-dimethylsilene avec respectivement un radical methyle et une molecule de [H.sub.2]. Ce sont deux voies reactionnelles nouvelles impliquant le 1,1-dimethylsilene dans des reactions secondaires en phase gazeuse. Mots-cles: 1,1-dimeethyl-1-silacyclobutane, chimie d'une reaction en phase gazeuse, depot de vapeur chimique sur un filament chauffe;, spectrometrie de masse avec ionisation par un photon unique d'un laser UV a vide, silene, silylene., Introduction 1,1-Dimethyl-1-silacyclobutane (DMSCB) has been used as a single-source precursor to deposit SiC thin films by low-pressure chemical vapour deposition (LP-CVD) (1) and hot-wire CVD (HW-CVD) (2). In this molecule, [...]

Published
2011
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