An in situ cross-linked 1D/3D perovskite heterostructure improves the stability of hybrid perovskite solar cells for over 3000 h operation
Yang, 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; Energy & Environmental Science 13 (2020) 4344–4352; doi:10.1039/D0EE01736A

data_1559217
_publ_section_title
;
 An in situ cross-linked 1D/3D perovskite heterostructure improves the
 stability of hybrid perovskite solar cells for over 3000 h operation
;
_journal_issue                   11
_journal_name_full               'Energy &amp; Environmental Science'
_journal_page_first              4344
_journal_page_last               4352
_journal_paper_doi               10.1039/D0EE01736A
_journal_volume                  13
_journal_year                    2020
_chemical_formula_moiety         '0.5(I6 Pb2), 1(C)'
_chemical_formula_sum            'C I3 Pb'
_chemical_formula_weight         458.93
_space_group_crystal_system      trigonal
_space_group_IT_number           163
_space_group_name_Hall           '-P 3 2c'
_space_group_name_H-M_alt        'P -3 1 c'
_atom_sites_solution_primary     dual
_audit_block_doi                 10.5517/ccdc.csd.cc21r443
_audit_creation_date             2018-10-16
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2020-08-28 deposited with the CCDC.	2020-09-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   8.7795(12)
_cell_length_b                   8.7795(12)
_cell_length_c                   8.1964(16)
_cell_measurement_temperature    153(2)
_cell_volume                     547.13(15)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      153.15
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0566
_diffrn_reflns_av_unetI/netI     0.0329
_diffrn_reflns_Laue_measured_fraction_full 0.979
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            2235
_diffrn_reflns_point_group_measured_fraction_full 0.979
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.408
_diffrn_reflns_theta_min         2.679
_exptl_absorpt_coefficient_mu    26.287
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    2.786
_exptl_crystal_F_000             386
_refine_diff_density_max         5.078
_refine_diff_density_min         -3.165
_refine_diff_density_rms         0.647
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.251
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     10
_refine_ls_number_reflns         414
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.251
_refine_ls_R_factor_all          0.0974
_refine_ls_R_factor_gt           0.0954
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1736P)^2^+5.4826P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2868
_refine_ls_wR_factor_ref         0.2902
_reflns_Friedel_coverage         0.000
_reflns_number_gt                394
_reflns_number_total             414
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0ee01736a2.cif
_cod_data_source_block           bwn18304
_cod_depositor_comments          'Adding full bibliography for 1559217.cif.'
_cod_original_cell_volume        547.13(18)
_cod_database_code               1559217
_shelx_shelxl_version_number     2018/3
_olex2_refinement_description
;
1. Others
 Fixed Sof: C1(0.16667)
;
_olex2_submission_special_instructions 'No special instructions were received'