Fig. 1: Eighty-four molecule candidates to be inserted in the A’-site of the RP structure (n = 2), among which 41 relatively smaller molecules (located on the upper-left side) were shared with the A-site.
From: Discovery of Pb-free hybrid organic–inorganic 2D perovskites using a stepwise optimization strategy
1. Ammonium, 2. Hydrazinium(HY), 3. Methylammonium(MA), 4. Hydroxylammonium, 5. Aziridinium, 6. Oxiran-1-ium, 7. Azetidinium(AZ), 8. Oxetan-1-ium, 9. Dimethylammonium(DiMA), 10. Pyrrolidinium(PY), 11. 2-Propanaminium, 12. Tetrahydrofuranium, 13. Ethylammonium(EA), 14. Formamidinium(FA), 15. Trimethylammonium(TriMA), 16. Tetramethylammonium(TetraMA), 17. Cyclopropylammonium, 18. Thiazolium, 19. Iodoformamidinium, 20. 1-Aminoethaniminium, 21. 1-Aminoethaniminium, 22. Guanidinium (GA), 23. 1H-Pyrrole-1-ium, 24. Imidazolium(IM), 25. Protonated thiourea cation, 26. Heteroatom substituted alkylammonium, 27. eEthylammonium bromide, 28. Piperazin-1-ium(PIP), 29. Tetrahydropyran-1-ium, 30. Piperidinium, 31. Ehthylammonium iodide, 32. Cyclobutylammonium, 33. Oxepan-1-ium, 34. Cyclopentylammonium, 35. isobutyl-ammonium(IBA), 36. Azepanium, 37. propan-1-ammonium, 38. Diethylammonium(DiEA), 39. Phenyltrimethylammonium(PTA), 40. 3-iodopyridinium, 41. Cyclohexylammonium, 42. Tropylium, 43. Propylammonium hydroxide, 44. 2-(methylthio)ethylamine(MTEA), 45. Propylammonium bromide, 46. Propylammonium iodide, 47. Cyclohexylphosphonium, 48. But-3-yn-1-ammonium(BYA), 49. Allylammonium(ALA), 50. Ammonium 4-butyric acid, 51. Butan-1-ammonium(BA), 52. Benzimidazolium, 53. Benzylammonium(BZA), 54. 2-thienylmethylammonium(ThMA), 55. Cyclohexylmethylammonium, 56. Butylammonium hydroxide, 57. Butylammonium bromide, 58. Butylammonium iodide, 59. 2-(2-thienyl)ethanaminium, 60. Penta-1-ammonium, 61. 2-chlorophenethylammonium, 62. 2-bromophenethylammonium, 63. Phenylethylammonium(PEA), 64. 4-methylbenzylammonium, 65. 2-(1-cyclohexenyl)ethylammonium, 66. 2-fluorophenethylammonium(FPEA), 67. Pentylammonium hydroxide, 68. 4-fluorophenylethylammonium(F-PEA), 69. Perfluorophenethylammonium(F5-PEA), 70. Pentylammonium bromide, 71. Pentylammonium iodide, 72. 1-(2-naphthyl)methanammonium(NMA), 73. 5-ammonium valeric acid(5-AVA), 74. Hexane-1-ammonium, 75. Naphthalene-O-ethylammonium, 76. Propyl phenyl ammonium(PPA), 77. (carboxy)Cyclohexylmethylammonium(TRA), 78. Hexylammonium bromide, 79. Hexylammonium hydroxide, 80. Hexylammonium iodide, 81. 4-methoxyphenethylammonium(MeO-PEA), 82. Heptan-1-ammonium, 83. 2-(2-naphthyl)ethanammonium(NEA), 84. Octan-1-ammonium, 85. Pyrene-O-ethylammonium.
