Organic-inorganic halide perovskite is believed to be a potential candidate for high efficiency solar cells because power conversion efficiency (PCE) was certified to be more than 22%. Nevertheless, mismatch of PCE due to current density (J)-voltage (V) hysteresis in perovskite solar cells is an obstacle to overcome. There has been much lively debate on the origin of J-V hysteresis; however, effective methodology to solve the hysteric problem has not been developed. Here we report a universal approach for hysteresis-free perovskite solar cells via defect engineering. A severe hysteresis observed from the normal mesoscopic structure employing TiO and spiro-MeOTAD is almost removed or does not exist upon doping the pure perovskites, CHNHPbI and HC(NH)PbI, and the mixed cation/anion perovskites, FAMAPbIBr and FAMACsPbIBr, with potassium iodide. Substantial reductions in low-frequency capacitance and bulk trap density are measured from the KI-doped perovskite, which is indicative of trap-hysteresis correlation. A series of experiments with alkali metal iodides of LiI, NaI, KI, RbI and CsI reveals that potassium ion is the right element for hysteresis-free perovskite. Theoretical studies suggest that the atomistic origin of the hysteresis of perovskite solar cells is not the migration of iodide vacancy but results from the formation of iodide Frenkel defect. Potassium ion is able to prevent the formation of Frenkel defect since K energetically prefers the interstitial site. A complete removal of hysteresis is more pronounced at mixed perovskite system as compared to pure perovskites, which is explained by lower formation energy of K interstitial (-0.65 V for CHNHPbI vs -1.17 V for mixed perovskite). The developed KI doping methodology is universally adapted for hysteresis-free perovskite regardless of perovskite composition and device structure.

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NiO is a wide band gap p-type oxide semiconductor and has potential for applications in solar energy conversion as a hole-transporting layer (HTL). It also has good optical transparency and high chemical stability, and the capability of aligning the band edges to the perovskite (CH3NH3PbI3) layers. Ultra-thin and un-doped NiO films with much less absorption loss were prepared by atomic layer deposition (ALD) with highly precise control over thickness without any pinholes. Thin enough (5-7.5 nm in thickness) NiO films with the thickness of few time the Debye length (LD = 1-2 nm for NiO) show enough conductivities achieved by overlapping space charge regions. The inverted planar perovskite solar cells with NiO films as HTLs exhibited the highest energy conversion efficiency of 16.40% with high open circuit voltage (1.04 V) and fill factor (0.72) with negligible current-voltage hysteresis.

The edge sites of molybdenum disulfide (MoS 2 ) have been shown to be efficient electrocatalysts for the hydrogen evolution reaction (HER). To utilize these structures, two main strategies have been proposed. The first strategy is to use amorphous structures, which should be beneficial in maximizing the area of the edge-site moieties of MoS 2 . However, these structures experience structural instability during HER. The other strategy is nanostructuring, in which, to enhance the resulting HER performance, the exposed surfaces of MoS 2 cannot be inert basal planes. Therefore, MoS 2 may need critical nanocrystallinity to produce the desired facets. Here, we first describe that when atomic layer deposition (ALD) is applied to layered materials such as MoS 2 , MoS 2 exhibits the nonideal mode of ALD growth on planar surfaces. As a model system, the ALD of MoCl 5 and H 2 S was studied. This nonideality does not allow for the conventional linear relationship between the growth thickness and the number of cycles. Instead, it provides the ability to control the relative ratios of the edge sites and basal planes of MoS 2 to the exposed surfaces. The number of edge sites produced was carefully characterized in terms of the geometric surface area and effective work function and was correlated to the HER performance, including Tafel slopes and exchange current densities. We also discussed how, as a result of the low growth temperature, the incorporation of chlorine impurities affected the electron doping and formation of mixed 2H and 1T phases. Remarkably, the resulting 1T phase was stable even upon thermal annealing at 400 °C. With the simple, planar MoS 2 films, we monitored the resulting catalytic performance, finding current densities of up to 20 mA cm −2 at −0.3 V versus the reversible hydrogen electrode (RHE), a Tafel slope of 50−60 mV/decade, and an onset potential of 143 mV versus RHE.

Sb2Se3 nanoneedles for use as a photocathode for water splitting are fabricated by facile spin-coating. After sequential surface modification with n-TiO2 and Pt, a remarkable photocurrent of 2 mA cm−2 at 0 VRHE is realized.