Crystallography Open Database

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1513733 CIFC78 H18P 1 21/c 121.462; 10.226; 19.538
90; 109.458; 90
4043Cho, Namchul; Li, Chang-Zhi; Yip, Hin-Lap; Jen, Alex K.-Y.
In situ doping and crosslinking of fullerenes to form efficient and robust electron-transporting layers for polymer solar cells
Energy & Environmental Science, 2014, 7, 638
1513734 CIFC18 H9 Br6 NP 1 21/c 18.1254; 18.6567; 26.9854
90; 96.5869; 90
4063.8Odom, Susan A.; Ergun, Selin; Poudel, Pramod P.; Parkin, Sean R.
A fast, inexpensive method for predicting overcharge performance in lithium-ion batteries
Energy & Environmental Science, 2014, 7, 760
1513735 CIFC5 H4 F6 Li N O7 S2P 21 21 215.7951; 12.7103; 16.8547
90; 90; 90
1241.47McOwen, Dennis W.; Seo, Daniel M.; Borodin, Oleg; Vatamanu, Jenel; Boyle, Paul D.; Henderson, Wesley A.
Concentrated electrolytes: decrypting electrolyte properties and reassessing Al corrosion mechanisms
Energy & Environmental Science, 2014, 7, 416
1513736 CIFC11 H12 F6 Li N O13 S2P c a 218.729; 14.045; 16.041
90; 90; 90
1966.6McOwen, Dennis W.; Seo, Daniel M.; Borodin, Oleg; Vatamanu, Jenel; Boyle, Paul D.; Henderson, Wesley A.
Concentrated electrolytes: decrypting electrolyte properties and reassessing Al corrosion mechanisms
Energy & Environmental Science, 2014, 7, 416
1514143 CIFC26 H21 Co F6 N5 O6 S2P -18.0983; 12.4502; 15.5631
105.76; 103.114; 101.124
1415.5Khnayzer, R. S.; Thoi, V. S.; Nippe, M.; King, A. E.; Jurss, J. W.; El Roz, K. A.; Long, J. R.; Chang, C. J.; Castellano, F. N.
Towards a comprehensive understanding of visible-light photogeneration of hydrogen from water using cobalt(ii) polypyridyl catalysts
Energy & Environmental Science, 2014, 7, 1477
1514144 CIFC33 H26.5 Co F12 N7.5 O6 S2P -116.288; 16.463; 17.02
62.683; 83.145; 83.634
4017.8Khnayzer, R. S.; Thoi, V. S.; Nippe, M.; King, A. E.; Jurss, J. W.; El Roz, K. A.; Long, J. R.; Chang, C. J.; Castellano, F. N.
Towards a comprehensive understanding of visible-light photogeneration of hydrogen from water using cobalt(ii) polypyridyl catalysts
Energy & Environmental Science, 2014, 7, 1477
1514145 CIFC27 H22 Co F6 N6 O7 S2P -18.3555; 13.6865; 15.1917
116.451; 94.117; 90.678
1549.54Khnayzer, R. S.; Thoi, V. S.; Nippe, M.; King, A. E.; Jurss, J. W.; El Roz, K. A.; Long, J. R.; Chang, C. J.; Castellano, F. N.
Towards a comprehensive understanding of visible-light photogeneration of hydrogen from water using cobalt(ii) polypyridyl catalysts
Energy & Environmental Science, 2014, 7, 1477
1514146 CIFC25 H20 Co F6 N4 O6 S2P 1 21/n 112.0052; 17.117; 13.5392
90; 99.567; 90
2743.5Khnayzer, R. S.; Thoi, V. S.; Nippe, M.; King, A. E.; Jurss, J. W.; El Roz, K. A.; Long, J. R.; Chang, C. J.; Castellano, F. N.
Towards a comprehensive understanding of visible-light photogeneration of hydrogen from water using cobalt(ii) polypyridyl catalysts
Energy & Environmental Science, 2014, 7, 1477
1514147 CIFC27 H23 Co F6 N5 O6 S2P 1 21/c 112.8142; 16.9334; 13.8652
90; 98.362; 90
2976.6Khnayzer, R. S.; Thoi, V. S.; Nippe, M.; King, A. E.; Jurss, J. W.; El Roz, K. A.; Long, J. R.; Chang, C. J.; Castellano, F. N.
Towards a comprehensive understanding of visible-light photogeneration of hydrogen from water using cobalt(ii) polypyridyl catalysts
Energy & Environmental Science, 2014, 7, 1477
1514148 CIFC26 H28 Co F6 N4 O9 S2P -19.6468; 11.9557; 14.9502
105.694; 105.787; 100.066
1538.89Khnayzer, R. S.; Thoi, V. S.; Nippe, M.; King, A. E.; Jurss, J. W.; El Roz, K. A.; Long, J. R.; Chang, C. J.; Castellano, F. N.
Towards a comprehensive understanding of visible-light photogeneration of hydrogen from water using cobalt(ii) polypyridyl catalysts
Energy & Environmental Science, 2014, 7, 1477
1514149 CIFC30.5 H27 Co F6 N6 O6 S2I 1 2/a 124.9411; 11.4329; 26.1884
90; 116.585; 90
6678.1Khnayzer, R. S.; Thoi, V. S.; Nippe, M.; King, A. E.; Jurss, J. W.; El Roz, K. A.; Long, J. R.; Chang, C. J.; Castellano, F. N.
Towards a comprehensive understanding of visible-light photogeneration of hydrogen from water using cobalt(ii) polypyridyl catalysts
Energy & Environmental Science, 2014, 7, 1477
1514502 CIFC49 H38 N2 O6P -18.947; 14.538; 14.887
75.26; 78.85; 82.01
1829.06Cheriya, Rijo T.; Mallia, Ajith R.; Hariharan, Mahesh
Light harvesting vesicular donor‒acceptor scaffold limits the rate of charge recombination in the presence of an electron donor
Energy & Environmental Science, 2014, 7, 1661
1514855 CIFCo2 K7 O49 W11F m -3 m21.2598; 21.2598; 21.2598
90; 90; 90
9609Song, Fangyuan; Ding, Yong; Ma, Baochun; Wang, Changming; Wang, Qiang; Du, Xiaoqiang; Fu, Shao; Song, Jie
K7[CoIIICoII(H2O)W11O39]: a molecular mixed-valence Keggin polyoxometalate catalyst of high stability and efficiency for visible light-driven water oxidation
Energy & Environmental Science, 2013, 6, 1170
1515283 CIFB H8 Li N2C 1 c 112.1653; 6.7288; 10.3724
90; 104.751; 90
821.08He, Teng; Wu, Hui; Wu, Guotao; Wang, Junhu; Zhou, Wei; Xiong, Zhitao; Chen, Juner; Zhang, Tao; Chen, Ping
Borohydride hydrazinates: high hydrogen content materials for hydrogen storage
Energy & Environmental Science, 2012, 5, 5686
1515284 CIFB H12 Li N4P c a 2112.0187; 6.49642; 7.6645
90; 90; 90
598.43He, Teng; Wu, Hui; Wu, Guotao; Wang, Junhu; Zhou, Wei; Xiong, Zhitao; Chen, Juner; Zhang, Tao; Chen, Ping
Borohydride hydrazinates: high hydrogen content materials for hydrogen storage
Energy & Environmental Science, 2012, 5, 5686
1515285 CIFC62 H91 B2 F8 N5 Ni O4 P4C 1 2/c 119.9269; 15.0019; 21.745
90; 102.643; 90
6342.9Seu, Candace S.; Appel, Aaron M.; Doud, Michael D.; DuBois, Daniel L.; Kubiak, Clifford P.
Formate oxidation via β-deprotonation in [Ni(PR2NR′2)2(CH3CN)]2+ complexes
Energy & Environmental Science, 2012, 5, 6480
1515286 CIFC54 H80 B Cl3 Mg2 O6P 1 21/n 116.076; 23.952; 17.49
90; 108.075; 90
6402Guo, Yong-sheng; Zhang, Fan; Yang, Jun; Wang, Fei-fei; NuLi, Yanna; Hirano, Shin-ichi
Boron-based electrolyte solutions with wide electrochemical windows for rechargeable magnesium batteries
Energy & Environmental Science, 2012, 5, 9100
1515287 CIFC36 H58 Al Cl5 Mg2 O6P -112.9569; 13.0714; 13.4709
77.757; 85.936; 72.074
2121.33Muldoon, John; Bucur, Claudiu B.; Oliver, Allen G.; Sugimoto, Tsuyoshi; Matsui, Masaki; Kim, Hee Soo; Allred, Gary D.; Zajicek, Jaroslav; Kotani, Yukinari
Electrolyte roadblocks to a magnesium rechargeable battery
Energy & Environmental Science, 2012, 5, 5941
1515288 CIFC48 H68 B Cl3 Mg2 O6P 1 21/c 116.4151; 16.5787; 18.5617
90; 109.364; 90
4765.6Muldoon, John; Bucur, Claudiu B.; Oliver, Allen G.; Sugimoto, Tsuyoshi; Matsui, Masaki; Kim, Hee Soo; Allred, Gary D.; Zajicek, Jaroslav; Kotani, Yukinari
Electrolyte roadblocks to a magnesium rechargeable battery
Energy & Environmental Science, 2012, 5, 5941
1515383 CIFAl9.1 K8 Si36.9P m -3 n10.4802; 10.4802; 10.4802
90; 90; 90
1151.1He, Yuping; Sui, Fan; Kauzlarich, Susan M.; Galli, Giulia
Si-based Earth abundant clathrates for solar energy conversion
Energy & Environmental Science, 2014, 7, 2598
1515888 CIFC10 H32 B2 N4 NiP n m a14.4512; 9.4625; 11.7824
90; 90; 90
1611.18Churchard, Andrew James; Cyranski, Michał Ksawery; Dobrzycki, Łukasz; Budzianowski, Armand; Grochala, Wojciech
Nickel macrocycles with complex hydrides—new avenues for hydrogen storage research
Energy & Environmental Science, 2010, 3, 1973
1515889 CIFC10 H32 B2 N4 NiP 1 21/c 17.1397; 12.8109; 8.7041
90; 109.948; 90
748.36Churchard, Andrew James; Cyranski, Michał Ksawery; Dobrzycki, Łukasz; Budzianowski, Armand; Grochala, Wojciech
Nickel macrocycles with complex hydrides—new avenues for hydrogen storage research
Energy & Environmental Science, 2010, 3, 1973
1515890 CIFC17 H20 Co N5 O1.5I 41/a m d :222.847; 22.847; 12.458
90; 90; 90
6503Choi, Hye Jin; Dincă, Mircea; Dailly, Anne; Long, Jeffrey R.
Hydrogen storage in water-stable metal‒organic frameworks incorporating 1,3- and 1,4-benzenedipyrazolate
Energy & Environmental Science, 2010, 3, 117
1515997 CIFC56 H56 B Cl Co F4 N4 P4C 1 2/c 134.2939; 12.9425; 28.6361
90; 121.872; 90
10793.8Jacobsen, George M.; Yang, Jenny Y.; Twamley, Brendan; Wilson, Aaron D.; Bullock, R. Morris; Rakowski DuBois, M.; DuBois, Daniel L.
Hydrogen production using cobalt-based molecular catalysts containing a proton relay in the second coordination sphere
Energy & Environmental Science, 2008, 1, 167
1515998 CIFC34 H37 B2 Co F8 N5 P2P 1 21/n 110.0584; 20.1715; 17.605
90; 93.102; 90
3566.7Jacobsen, George M.; Yang, Jenny Y.; Twamley, Brendan; Wilson, Aaron D.; Bullock, R. Morris; Rakowski DuBois, M.; DuBois, Daniel L.
Hydrogen production using cobalt-based molecular catalysts containing a proton relay in the second coordination sphere
Energy & Environmental Science, 2008, 1, 167
1516138 CIFC20 H25 Cl F3 Ir N4 O3 SP 1 21/n 18.92686; 16.30625; 16.1629
90; 99.0197; 90
2323.64Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan
Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights
Energy & Environmental Science, 2014, 7, 2316
1516139 CIFC26 H32 Cl F6 Ir N4 O0.5 PP 1 21 18.6499; 30.9257; 11.9013
90; 95.343; 90
3169.82Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan
Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights
Energy & Environmental Science, 2014, 7, 2316
1516140 CIFC48 H47.38 B Cl Ir N4 O0.19P b c a16.815; 17.575; 28.6833
90; 90; 90
8476.59Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan
Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights
Energy & Environmental Science, 2014, 7, 2316
1516141 CIFC20 H25 Cl F3 Ir N4 O3 SP -18.1397; 12.0802; 12.1711
93.308; 98.055; 96.258
1174.66Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan
Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights
Energy & Environmental Science, 2014, 7, 2316
1516142 CIFC24 H30 F6 Ir N5 O6 S2P -19.9198; 12.2357; 14.1911
88.964; 72.328; 67.558
1507.5Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan
Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights
Energy & Environmental Science, 2014, 7, 2316
1516143 CIFC32 H38 F6 Ir N5 O7 S2P 1 21/c 124.2752; 11.5628; 27.0877
90; 101.757; 90
7443.72Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan
Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights
Energy & Environmental Science, 2014, 7, 2316
1516144 CIFC28 H30 F6 Ir N5 O6 S2P 1 21/n 115.4068; 12.8634; 17.5263
90; 103.099; 90
3383.05Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan
Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights
Energy & Environmental Science, 2014, 7, 2316
1516145 CIFC25 H27 Cl F3 Ir N4 O3 SP 1 21/n 112.3897; 16.3148; 14.676
90; 114.395; 90
2701.69Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan
Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights
Energy & Environmental Science, 2014, 7, 2316
1516146 CIFC30 H35 F6 Ir N8 O6 S2P 1 21/c 117.0427; 12.0904; 18.0154
90; 108.807; 90
3513.9Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan
Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights
Energy & Environmental Science, 2014, 7, 2316
1548065 CIFC34 H73 Al Cl6 Mg2 N O7 Si2P 1 21/c 111.5604; 13.805; 31.203
90; 93.357; 90
4971.2Du, Aobing; Zhang, Zhonghua; Qu, Hongtao; Cui, Zili; Qiao, Lixin; Wang, Longlong; Chai, Jingchao; Lu, Tao; Dong, Shanmu; Dong, Tiantian; Xu, Huimin; Zhou, Xinhong; Cui, Guanglei
An efficient organic magnesium borate based electrolyte with non-nucleophilic characteristic for magnesium sulfur battery
Energy & Environmental Science, 2017
1548066 CIFC16 H39 Al2 Cl10 Mg2 O8P c a 2126.533; 7.3366; 19.239
90; 90; 90
3745.1Du, Aobing; Zhang, Zhonghua; Qu, Hongtao; Cui, Zili; Qiao, Lixin; Wang, Longlong; Chai, Jingchao; Lu, Tao; Dong, Shanmu; Dong, Tiantian; Xu, Huimin; Zhou, Xinhong; Cui, Guanglei
An efficient organic magnesium borate based electrolyte with non-nucleophilic characteristic for magnesium sulfur battery
Energy & Environmental Science, 2017
1548067 CIFC48 H68 B2 Cl6 F48 Mg4 O20C 1 2/c 136.905; 13.215; 20.962
90; 121.44; 90
8722Du, Aobing; Zhang, Zhonghua; Qu, Hongtao; Cui, Zili; Qiao, Lixin; Wang, Longlong; Chai, Jingchao; Lu, Tao; Dong, Shanmu; Dong, Tiantian; Xu, Huimin; Zhou, Xinhong; Cui, Guanglei
An efficient organic magnesium borate based electrolyte with non-nucleophilic characteristic for magnesium sulfur battery
Energy & Environmental Science, 2017
1548068 CIFC36 H52 B Cl3 F24 Mg2 O10P -113.389; 14.252; 16.825
108.785; 90.513; 114.274
2733.4Du, Aobing; Zhang, Zhonghua; Qu, Hongtao; Cui, Zili; Qiao, Lixin; Wang, Longlong; Chai, Jingchao; Lu, Tao; Dong, Shanmu; Dong, Tiantian; Xu, Huimin; Zhou, Xinhong; Cui, Guanglei
An efficient organic magnesium borate based electrolyte with non-nucleophilic characteristic for magnesium sulfur battery
Energy & Environmental Science, 2017
1548616 CIFC15 H21 Ga O6P n a 2115.7074; 32.8408; 13.412
90; 90; 90
6918.5Li, Wenzhe; Zhang, Cuiling; Ma, Yunping; Liu, Chong; Fan, Jiandong; Mai, Yaohua; Schropp, Ruud E. I.
In situ induced core/shell stabilized hybrid perovskites via gallium(iii) acetylacetonate intermediate towards highly efficient and stable solar cells
Energy & Environmental Science, 2018, 11, 286
1548617 CIFC16 H28 Ga I N O6P 1 21/n 112.3537; 12.2717; 15.5166
90; 112.273; 90
2176.82Li, Wenzhe; Zhang, Cuiling; Ma, Yunping; Liu, Chong; Fan, Jiandong; Mai, Yaohua; Schropp, Ruud E. I.
In situ induced core/shell stabilized hybrid perovskites via gallium(iii) acetylacetonate intermediate towards highly efficient and stable solar cells
Energy & Environmental Science, 2018, 11, 286
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

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