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Page 14 of 34 Wang et al. Energy Mater. 2026, 6, 600064

Table 1. Defect-selective additive engineering strategies and key functional groups for perovskite passivation
Dominant functional
Defect type Additive Refs.
groups
MACl + [Bcmim]Cl Cl - [1]
FABP -PO 3 2- [70]
Anion vacancies PbCl 2 Cl - [79]
MACl Cl - [80]
DTABr Br - [98]
NMACOOH HCOO - [71]
H3pp O [87]
(Undercoordinated Pb )
2+
ATU C=S [88]
DDPUD C=O [96]
FABP + [70]
Point -NH 3
defects NMACOOH NMA + [71]
Cation vacancies 2-HZP -NH-NH 2 [72]
DTABr DTA + [98]
PVP -C(O)NH- [99]
- [100]
KBF 4 BF 4
EMImCl Cl - [101]
PAA -C 5 H 4 N, -NH 2 [102]
Antisite defects
DPGABr -NH 2 [103]
M4 -S [104]
DDPUD C=O, -F [129]
TPPO P=O [107]
Surface defects
PEABr PEA + [108]
Grain boundary defects FuMACl , 4,4-difluoropiperidinehydrochloride ((DFP) 2 PbI 4 ) -NH 2 , O [109]
[111]
SnO 2
[112,113]
TiO 2
ZnO [114]
Interface defects \
Me-4PACz [130]
2-(3,6-dimethoxy-9H-carbazol-9-yl) ethyl] phosphonic acid
(MeO-2PACz) [130]
Extended defects Secondary phases DEC C=O [128]

MACl: Methylammonium chloride; FABP: fluorinated anilinium benzylphosphonate; ATU: amidinethiourea; PVP: polyvinylpyrrolidone; PAA:
1,10-phenanthroline-5-amine; TPPO: triphenylphosphine oxide; DEC: diethyl carbonate.

Polymer/crosslinker protection
While the strategic deployment of targeted functional groups successfully mitigates localized interfacial
defects through strong chemical coordination, these discrete small-molecule modifiers frequently encounter
intrinsic limitations in long-term mechanical stability and thermal robustness, as their isolated operation
across the boundary renders them susceptible to desorption or unwanted diffusion under continuous
operational stress. To address these limitations, current research has advanced toward incorporating
polymeric and crosslinking agents to construct protective architectures at the perovskite interfaces.
Li et al. introduced a polymerized small-molecular acceptor PY-IT featuring strong fused-ring planarity
[134]