昆工陈江照和河北工大陈聪等人Nat. Commun.：理性设计的通用钝化剂实现高性能单结和叠层钙钛矿电池

界面陷阱态辅助的非辐射复合阻碍了钙钛矿太阳能电池的发展。鉴于此，昆明理工大学陈江照教授、河北工业大学陈聪教授等人报道了理性设计的通用缺陷钝化剂，实现了高效稳定单结和叠层钙钛矿太阳能电池。通过阴阳离子协同效应同时钝化了多种缺陷。而且，可以通过精确控制阳离子上氢原子数量和空间位阻来调控缺陷钝化效果。

由于最小化的界面能量损失，基于L-缬氨酸苄酯对甲苯磺酸盐（VBETS）修饰的真空闪蒸技术制备反式电池和组件分别取得了26.28%和21%的效率，VBETS钝化的钙钛矿/硅叠层电池获得了30.98%的功率转换效率。该工作强调了钝化分子中氢原子数量和空间位阻的重要性。

Fig. 1| Theoretical screening of organic cations. a The chemical structures and electrostatic potential of BG⁺, VBE⁺, LBE⁺, and TS^-. b The binding energy of BGTS, VBETS, and LBETS with FAPbI₃ containing Pb_I anti-site, V_I, and V_FAdefects. c-e, The binding energy of (c) BG⁺, (d) VBE⁺, and (e) LBE⁺ cations with FAPbI₃containing V_FA defects. f Binding energy of An⁺, MA⁺, EA⁺, BG⁺, VBE⁺, and LBE⁺with FAPbI₃ containing V_FA defects. g-i Charge density difference of (g) BG⁺, (h) VBE⁺, and (i) LBE⁺ with FAPbI₃ surface encompassing V_FAdefects (cyan indicates a decrease in charge density, yellow indicates an increase in charge density).

Fig. 2| Chemical interactions and perovskite film quality. a XPS spectra of S 2p in the control and BGTS, VBETS, or LBETS-modified perovskite films. b, c XPS spectra of (b) Pb 4f and (c) I 3d in control and BGTS, VBETS, or LBETS modified perovskite films. d-f FTIR for (d) BGTS and BGTS+PbI₂,(e) VBETS and VBETS+PbI₂, and (f) LBETS and LBETS+PbI₂.g, h Steady-state PL (g) and TRPL (h) spectra of the control, BGTS, VBETS, and LBETS-modified perovskite films on a bare glass substrate. i I-V curves of the devices based on ITO/SnO₂/perovskite (BGTS, VBETS, and LBETS)/C₆₀/Agstructure under dark.

Fig. 3| Surface potentials and energy level of perovskite films. a SEM images of the control, BGTS, VBETS, and LBETS-modified 1.58 eV-Cs_0.05(FA_0.95MA_0.05)_0.95Pb(I_0.95Br_0.05)₃perovskite films. b LBIC mapping images of the control, BGTS-, VBETS-, and LBETS-modified 1.58 eV-Cs_0.05(FA_0.95MA_0.05)_0.95Pb(I_0.95Br_0.05)₃based PSCs, the top row is fresh perovskite films and the bottom row is perovskite films after aging for 5 days at room temperature under RH of 60 ± 10%. cKPFM images of the control, BGTS, VBETS, and LBETS-modified 1.58 eV-Cs_0.05(FA_0.95MA_0.05)_0.95Pb(I_0.95Br_0.05)₃perovskite films. d Tangent lines in KPFM images to demonstrate changes in surface potential. e UPS spectra of the control, BGTS, VBETS, and LBETS-modified perovskite films. f Energy level diagram of the control and BGTS, VBETS, and LBETS-modified perovskite films.

Fig. 4| Device performance and long-term stability. a-c Champion J-V curves of the best-performing control and VBETS-modified (a) 1.53 eV (prepared in the ambient conditions), (b) 1.53 eV (prepared in the glovebox with 99.999% N₂ conditions), and (c) 1.66 eV perovskite-based PSC devices in reverse and forward scan mode. d The column-shaped statistical chart of PCE, V_OC, J_SC, and FF parameters for control devices and VBETS-modified devices based on 1.53 eV, 1.58 eV, and 1.66 eV perovskite as photoactive layer Specifically, * represents that perovskite devices are prepared in N₂ glove boxes, while the others are prepared under air ambient conditions. e The EQE spectra and integrated J_SC of the champion VBETS-modified PSCs with 1.53 eV, 1.58 eV, and 1.66 eV perovskites. f J-V curves of the 1.58 eV-perovskite-based PSC modules with VBETS modification. The inset is the photograph of a VBETS-modified perovskite module with an aperture area of 32.144 cm². g Comparison of the historical PCEs of the PSC module with an aperture area exceeding 30 cm². h Cross-sectional SEM image for exhibiting the device structure of perovskite/HJT crystalline silicon TSCs modified with VBETS. i J-V curves for the TSCs without and with VBETS in reverse and forward scan mode. j MPPT stability curves of the single-junction PSCs without and with VBETS.

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