Crystallography Open Database

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1548647 CIFC H12 B11 LiP c a 219.6668; 9.4892; 9.7273
90; 90; 90
892.29Wan Si Tang; Atsushi Unemoto; Wei Zhou; Vitalie Stavila; Motoaki Matsuo; Hui Wu; Shin-ichi Orimo; Terrence J. Udovic
Unparalleled Lithium and Sodium Superionic Conduction in Solid Electrolytes with Large Monovalent Cage-like Anions
Energy & Environmental Science, 2015, 8, 3637-3645
1548648 CIFC H12 B11 NaP c a 219.7821; 9.6254; 10.0928
90; 90; 90
950.3Wan Si Tang; Atsushi Unemoto; Wei Zhou; Vitalie Stavila; Motoaki Matsuo; Hui Wu; Shin-ichi Orimo; Terrence J. Udovic
Unparalleled Lithium and Sodium Superionic Conduction in Solid Electrolytes with Large Monovalent Cage-like Anions
Energy & Environmental Science, 2015, 8, 3637-3645
1552857 CIFC43 H38 N2 O2P -110.5358; 12.5714; 15.0206
101.715; 107.958; 109.766
1672.8Cao, Yang; Li, Yunlong; Morrissey, Thomas; Lam, Brian; Patrick, Brian O.; Dvorak, David; Xia, Zhicheng; Kelly, Timothy L.; Berlinguette, Curtis P.
Dopant-free molecular hole transport material that mediates a 20% power conversion efficiency in a perovskite solar cell
Energy & Environmental Science, 2019
1552936 CIFC44 H58 N8 O13C 1 2 121.2554; 5.93942; 17.7277
90; 90.6651; 90
2237.88Tao, Kai; Donnell, Joseph O'; Yuan, Hui; Haq, Ehtsham U.; Guerin, Sarah; Shimon, Linda J. W.; Xue, Bin; Silien, Christophe; Cao, Yi; Thompson, Damien; Yang, Rusen; Tofail, Syed A. M.; Gazit, Ehud
Accelerated charge transfer in water-layered peptide assemblies.
Energy & environmental science, 2020, 13, 96-101
1552937 CIFC44 H57 N8 O13C 1 2 121.2; 5.9359; 17.737
90; 90.692; 90
2231.9Tao, Kai; Donnell, Joseph O'; Yuan, Hui; Haq, Ehtsham U.; Guerin, Sarah; Shimon, Linda J. W.; Xue, Bin; Silien, Christophe; Cao, Yi; Thompson, Damien; Yang, Rusen; Tofail, Syed A. M.; Gazit, Ehud
Accelerated charge transfer in water-layered peptide assemblies.
Energy & environmental science, 2020, 13, 96-101
1556887 CIFC40 H48 B2 Ca F48 O16I 41/a :219.597; 19.597; 36.7108
90; 90; 90
14098.5Li, Zhenyou; Fuhr, Olaf; Fichtner, Maximilian; Zhao-Karger, Zhirong
Towards stable and efficient electrolytes for room-temperature rechargeable calcium batteries
Energy & Environmental Science, 2019, 12, 3496
1559217 CIFC I3 PbP -3 1 c8.7795; 8.7795; 8.1964
90; 90; 120
547.13Yang, Ning; Zhu, Cheng; Chen, Yihua; Zai, Huachao; Wang, Chenyue; Wang, Xi; Wang, Hao; Ma, Sai; Gao, Ziyan; Wang, Xueyun; Hong, Jiawang; Bai, Yang; Zhou, Huanping; Cui, Bin-Bin; Chen, Qi
An in situ cross-linked 1D/3D perovskite heterostructure improves the stability of hybrid perovskite solar cells for over 3000 h operation
Energy & Environmental Science, 2020, 13, 4344-4352
1559374 CIFC68 H68 Cl2 N4 O4 S2P -113.3351; 16.6987; 17.3392
88.307; 76.712; 82.866
3728.61Li, Xiaojun; Angunawela, Indunil; Chang, Yuan; Zhou, Jiadong; Huang, He; Zhong, Lian; Liebman-Pelaez, Alex; Zhu, Chenhui; Meng, Lei; Xie, Zengqi; Ade, Harald; Yan, He; Li, Yongfang
Effect of the chlorine substitution position of the end-group on intermolecular interactions and photovoltaic performance of small molecule acceptors
Energy & Environmental Science, 2020, 13, 5028-5038
1559375 CIFC82 H88 Cl2 N8 O2 S5P -113.6375; 15.398; 19.4824
105.241; 94.313; 99.33
3865.1Li, Xiaojun; Angunawela, Indunil; Chang, Yuan; Zhou, Jiadong; Huang, He; Zhong, Lian; Liebman-Pelaez, Alex; Zhu, Chenhui; Meng, Lei; Xie, Zengqi; Ade, Harald; Yan, He; Li, Yongfang
Effect of the chlorine substitution position of the end-group on intermolecular interactions and photovoltaic performance of small molecule acceptors
Energy & Environmental Science, 2020, 13, 5028-5038
1559376 CIFC82 H88 Cl2 N8 O2 S5P -114.699; 17.173; 17.727
65.789; 65.996; 72.836
3683.8Li, Xiaojun; Angunawela, Indunil; Chang, Yuan; Zhou, Jiadong; Huang, He; Zhong, Lian; Liebman-Pelaez, Alex; Zhu, Chenhui; Meng, Lei; Xie, Zengqi; Ade, Harald; Yan, He; Li, Yongfang
Effect of the chlorine substitution position of the end-group on intermolecular interactions and photovoltaic performance of small molecule acceptors
Energy & Environmental Science, 2020, 13, 5028-5038
1559377 CIFC68 H68 Cl2 N4 O4 S2P -114.6444; 15.9434; 17.986
106.356; 113.691; 95.799
3578.6Li, Xiaojun; Angunawela, Indunil; Chang, Yuan; Zhou, Jiadong; Huang, He; Zhong, Lian; Liebman-Pelaez, Alex; Zhu, Chenhui; Meng, Lei; Xie, Zengqi; Ade, Harald; Yan, He; Li, Yongfang
Effect of the chlorine substitution position of the end-group on intermolecular interactions and photovoltaic performance of small molecule acceptors
Energy & Environmental Science, 2020, 13, 5028-5038
1564073 CIFC80 H74 F4 N8 O2 S3I 1 2/a 19.93013; 33.0819; 23.3061
90; 94.7559; 90
7629.87Li, Xiaojun; Luo, Siwei; sun, huiliang; Liu, Tao; Sung, Herman H-Y.; Yu, Han; Xiao, Yiqun; Bai, Fujin; Pan, Mingao; Lu, Xinhui; Williams, Ian Duncan; Guo, Xugang; Li, Yongfang; Yan, He
Medium Band-Gap Non-fullerene Acceptors Based on Benzothiophene Donor Moiety Enabling High-Performance Indoor Organic Photovoltaics
Energy & Environmental Science, 2021
1564399 CIFC29 H37 Br2 N S3P -113.9722; 17.5232; 19.1562
94.993; 108.44; 91.696
4424.4Yuan, Xiyue; Zhao, Yunli; Zhan, Tao; Oh, Jiyeon; Zhou, Jiadong; Li, Junyu; Wang, Xiaojing; Wang, Zhiqiang; Pang, Shuting; Cai, Ping; Yang, Changduk; He, Zhicai; Xie, Zengqi; Duan, Chunhui; Huang, Fei; Cao, Yong
A donor polymer based on 3-cyanothiophene with superior batch-to-batch reproducibility for high-efficiency organic solar cells
Energy & Environmental Science, 2021, 14, 5530-5540
1564845 CIFC90 H102 Cl2 F2 N8 O2 S5C 1 2/c 126.5046; 23.0448; 31.2654
90; 107.646; 90
18198.1Wang, Lai; An, Qiaoshi; Yan, Lu; Bai, Hai-Rui; Jiang, Mengyun; Mahmood, Asif; Yang, Can; Zhi, Hongfu; Wang, Jin-Liang
Non-fullerene acceptors with hetero-dihalogenated terminals induce significant difference in single crystallography and enable binary organic solar cells with 17.5% efficiency
Energy & Environmental Science, 2022, 15, 320-333
1564846 CIFC90 H102 Br2 F2 N8 O2 S5C 1 2/c 126.7059; 23.0515; 31.3331
90; 107.898; 90
18355.5Wang, Lai; An, Qiaoshi; Yan, Lu; Bai, Hai-Rui; Jiang, Mengyun; Mahmood, Asif; Yang, Can; Zhi, Hongfu; Wang, Jin-Liang
Non-fullerene acceptors with hetero-dihalogenated terminals induce significant difference in single crystallography and enable binary organic solar cells with 17.5% efficiency
Energy & Environmental Science, 2022, 15, 320-333
1564847 CIFC90 H102 Br2 Cl2 N8 O2 S5P -116.0896; 17.7032; 17.9514
107.551; 114.327; 90.288
4392.9Wang, Lai; An, Qiaoshi; Yan, Lu; Bai, Hai-Rui; Jiang, Mengyun; Mahmood, Asif; Yang, Can; Zhi, Hongfu; Wang, Jin-Liang
Non-fullerene acceptors with hetero-dihalogenated terminals induce significant difference in single crystallography and enable binary organic solar cells with 17.5% efficiency
Energy & Environmental Science, 2022, 15, 320-333
1565981 CIFC100 H108 F6 N8 O2 S5P -116.0665; 17.2536; 17.4364
111.025; 94.188; 96.672
4446.7Li, Guoping; Feng, Liang-Wen; Mukherjee, Subhrangsu; Jones, Leighton O.; Jacobberger, Robert M.; Huang, Wei; Young, Ryan M.; Pankow, Robert M.; Zhu, Weigang; Lu, Norman; Kohlstedt, Kevin L.; Sangwan, Vinod K.; Wasielewski, Michael R.; Hersam, Mark C.; Schatz, George C.; DeLongchamp, Dean M.; Facchetti, Antonio; Marks, Tobin J.
Non-fullerene acceptors with direct and indirect hexa-fluorination afford >17% efficiency in polymer solar cells
Energy & Environmental Science, 2022, 15, 645-659
1565982 CIFC98 H102 F6 N8 O2 S5P 1 2/c 124.0563; 25.5964; 43.2943
90; 93.25; 90
26615.8Li, Guoping; Feng, Liang-Wen; Mukherjee, Subhrangsu; Jones, Leighton O.; Jacobberger, Robert M.; Huang, Wei; Young, Ryan M.; Pankow, Robert M.; Zhu, Weigang; Lu, Norman; Kohlstedt, Kevin L.; Sangwan, Vinod K.; Wasielewski, Michael R.; Hersam, Mark C.; Schatz, George C.; DeLongchamp, Dean M.; Facchetti, Antonio; Marks, Tobin J.
Non-fullerene acceptors with direct and indirect hexa-fluorination afford >17% efficiency in polymer solar cells
Energy & Environmental Science, 2022, 15, 645-659
1566632 CIFC78 H78 N6 O3P -114.2538; 17.1903; 17.3592
79.038; 72.546; 68.828
3767.7Fang, Lingyi; Zhang, Yuyan; Ren, Ming; Xie, Xinrui; Li, Tianyu; Yuan, Yi; Zhang, Jing; Wang, Peng
A triple helicene based molecular semiconductor characteristic of a fully fused conjugated backbone for perovskite solar cells
Energy & Environmental Science, 2022, 15, 1630-1637
1566850 CIFC3 H18 Al F9 O18 S3P 21 21 216.4503; 15.415; 22.904
90; 90; 90
2277.38Pastel, Glenn R.; Chen, Ying; Pollard, Travis P.; Schroeder, Marshall A.; Bowden, Mark E.; Zheng, Allen; Hahn, Nathan T.; Ma, Lin; Murugesan, Vijayakumar; Ho, Janet; Garaga, Mounesha; Borodin, Oleg; Mueller, Karl; Greenbaum, Steven; Xu, Kang
A sobering examination of the feasibility of aqueous aluminum batteries
Energy & Environmental Science, 2022, 15, 2460-2469

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