Unprecedented Self-Powered Visible-Infrared Dual-Modal Photodetection Induced by a Bulk Photovoltaic Effect in a Polar Perovskite.
Li, Dong; Shang, Xiaoying; Wu, Wentao; Li, Xiaoqi; Xu, Zhijin; Li, Lina; Hong, Maochun; Chen, Xueyuan; Luo, Junhua; ACS applied materials & interfaces 14 (2022) 5608–5614; doi:10.1021/acsami.1c21262

data_4519274
_publ_section_title
;
 Unprecedented Self-Powered Visible-Infrared Dual-Modal Photodetection
 Induced by a Bulk Photovoltaic Effect in a Polar Perovskite.
;
_journal_issue                   4
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_page_first              5608
_journal_page_last               5614
_journal_paper_doi               10.1021/acsami.1c21262
_journal_volume                  14
_journal_year                    2022
_chemical_absolute_configuration unk
_chemical_formula_moiety
'2(Br2 Pb0.5), 2(Br3 Pb), 2(C4 H11 Br N), 2(C2 H8 N)'
_chemical_formula_sum            'C12 H38 Br12 N4 Pb3'
_chemical_formula_weight         1818.95
_space_group_crystal_system      orthorhombic
_space_group_IT_number           26
_space_group_name_Hall           'P 2c -2'
_space_group_name_H-M_alt        'P m c 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2021-12-29
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   53.477(4)
_cell_length_b                   8.4509(6)
_cell_length_c                   8.4407(5)
_cell_measurement_reflns_used    4541
_cell_measurement_temperature    284(2)
_cell_measurement_theta_max      25.892
_cell_measurement_theta_min      2.440
_cell_volume                     3814.6(5)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      284(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  Bruker
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0713
_diffrn_reflns_av_unetI/netI     0.0855
_diffrn_reflns_limit_h_max       58
_diffrn_reflns_limit_h_min       -66
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            21390
_diffrn_reflns_theta_full        26.38
_diffrn_reflns_theta_max         26.38
_diffrn_reflns_theta_min         2.41
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    25.789
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.1729
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.167
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3216
_refine_diff_density_max         2.405
_refine_diff_density_min         -2.079
_refine_diff_density_rms         0.437
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -10(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.990
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     295
_refine_ls_number_reflns         7037
_refine_ls_number_restraints     209
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.1231
_refine_ls_R_factor_gt           0.0674
_refine_ls_shift/su_max          0.029
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1128P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1703
_refine_ls_wR_factor_ref         0.2070
_reflns_number_gt                4068
_reflns_number_total             7037
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            am1c21262_si_002.cif
_cod_data_source_block           c:\users\lilina\desktop\2\1
_cod_database_code               4519274
_olex2_refinement_description
;
;
_olex2_submission_special_instructions 'No special instructions were received'