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Perovskite solar cells have drawn much attention in recent years, owing to its world-record setting photovoltaic performances. Despite its promising use in tandem applications and flexible devices, its practicality is still limited by its structural instability often arising from ion migration and defect formation. While it is generally understood that ion instability is a primary cause for degradation, there is still a lack of direct evidence of structural transformation at the atomistic scale. Such an understanding is crucial to evaluate and pin-point how such instabilities are induced relative to external perturbations such as illumination or electrical bias with time, allowing researchers to devise effective strategies to mitigate them. Here, we designed an in-situ TEM setup to enable real-time observation of amorphization in double cation mixed perovskite materials under electrical biasing at 1 V. It is found that amorphization occurs along the (001) and (002) planes, which represents the observation of in-situ facet-dependent amorphization of a perovskite crystal. To reverse the degradation, the samples were heated at 50 oC and was found to recrystallize, effectively regaining its performance losses. This work is vital toward understanding fundamental ion-migration phenomena and address instability challenges of perovskite optoelectronics.

For decades of catalysis research, the d-band center theory that correlates the d-band center and the adsorbate binding energy has successfully enabled the accelerated discovery of novel catalyst materials. Recent studies indicate that, on top of the d-band center value, the full consideration of the d-band shapes describing higher moments of the d-band as well as sp-band properties can help better capturing surface reactivity. However, the density-of-states (DOS) patterns themselves have never been used as a descriptor in combined computational-experimental studies. Here, we propose the full DOS patterns as a key descriptor in high-throughput screening protocols, and prove its effectiveness. For the hydrogen peroxide (H2O2) synthesis as our demo catalytic reaction, the present study focuses on discovering bimetallic catalysts that can replace the prototypic palladium (Pd) one. Through a series of screening processes based on DOS pattern similarities (evaluated using first-principles calculations) and synthetic feasibility, 9 candidates are finally proposed out of 4,350 bimetallic alloy, which then are expected to have a catalytic performance comparable to that of Pd. The subsequent experimental tests demonstrate that 4 bimetallic catalysts (Ni61Pt39, Au51Pd49, Pt52Pd48, Pd52Ni48) indeed exhibit the catalytic properties comparable to those of Pd. Moreover, we discovered a novel bimetallic (Ni-Pt) catalyst, which has not yet been reported for H2O2 direct synthesis. In particular, Ni61Pt39 outperforms the prototypical Pd catalyst for the chemical reaction and exhibits a 9.5-fold enhancement in cost-normalized productivity. This protocol provides a new opportunity for the catalyst discovery for the replacement or reduction in use of the platinum-group metals.

Kyung Soo Hong,1 Min Cheol Kim,2 June Hong Ahn1 1Division of Pulmonary and Allergy, Department of Internal Medicine, College of Medicine, Yeungnam University and Regional Center for Respiratory Diseases, Yeungnam University Medical Center, Daegu, South Korea; 2Division of Gastroenterology, Department of Internal Medicine, Yeungnam University Medical Center, College of Medicine, Yeungnam University, Daegu, South KoreaCorrespondence: June Hong AhnDivision of Pulmonary and Allergy, Department of Internal Medicine, College of Medicine, Yeungnam University and Regional Center for Respiratory Diseases, Yeungnam University Medical Center, 170 Hyeonchung-ro, Nam-gu, Daegu 42415, South KoreaEmail fireajh@gmail.comBackground: Nonalcoholic fatty liver disease (NAFLD) is highly prevalent in patients with chronic obstructive pulmonary disease (COPD) and is independently associated with cardiometabolic comorbidities and systemic inflammation. Although several factors are associated with NAFLD, the influence of sarcopenia on NAFLD has not been fully determined in patients with COPD. We explored whether sarcopenia is associated with NAFLD in a COPD population.Methods: Data from the Korean National Health and Nutrition Examination Surveys 2008– 2011 were analyzed. The subjects were defined as having NAFLD when they had a hepatic steatosis index (HSI) score > 36, which is a previously validated NAFLD prediction score. Sarcopenia_BMI (=total appendicular skeletal muscle mass [kg]/body mass index [kg/m2]), sarcopenia_BW (=total appendicular skeletal muscle mass [kg]/body weight [kg] × 100), and sarcopenia_height (= total appendicular skeletal muscle mass (kg)/height2 (m)) measured using dual-energy X-ray absorptiometry was used to diagnose sarcopenia.Results: NAFLD was identified in 124 (14.6%) of 850 COPD subjects using the HSI. Multivariable logistic analyses adjusted for age, sex, hypertension, diabetes mellitus (DM), forced vital capacity (FVC), and metabolic syndrome demonstrated that sarcopenia (sarcopenia_BMI, odds ratio [OR] = 1.95; 95% confidence interval [CI], 1.11– 3.46, p = 0.022; sarcopenia_BW, OR = 2.25; 95% CI, 1.30– 3.92, p = 0.004) was associated with NAFLD in patients with COPD. The proportion of sarcopenia_BMI was higher in patients with a high fibrotic burden from NAFLD (Q3, Q4) than in subjects with a low fibrotic burden from NALFD (Q1, Q2) (54.8% vs 24.2%, p = 0.024). The proportion of sarcopenia_BW was also higher in patients with a high fibrotic burden from NAFLD than in patients with a low fibrotic burden from NAFLD (51.6% vs 30.6%, p = 0.029).Conclusion: Sarcopenia was associated with an increased risk for NAFLD in patients with COPD, independent of age, sex, lung function, and metabolic factors. Sarcopenic COPD was also associated with a high fibrotic burden in NAFLD patients. Pulmonologists should be aware of possible liver comorbidities in the sarcopenic COPD phenotype.Keywords: COPD, sarcopenia, NAFLD