| 2023-01 | Coordination modulated passivation for stable organic-inorganic perovskite solar cells | Kajal, Sandeep; Jeong, Jaeki; Seo, Jongdeuk, et al | ARTICLE | 782 |
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| 2022-12 | Challenges, Opportunities, and Prospects in Metal Halide Perovskites from Theoretical and Machine Learning Perspectives | Myung, Chang Woo; Hajibabaei, Amir; Cha, Ji-Hyun, et al | ARTICLE | 638 |
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| 2022-11 | Doped MXene combinations as highly efficient bifunctional and multifunctional catalysts for water splitting and metal-air batteries | Anand, Rohit; Ram, Babu; Umer, Muhammad, et al | ARTICLE | 310 |
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| 2022-11 | Transition metal single atom embedded GaN monolayer surface for efficient and selective CO2 electroreduction | Umer, Muhammad; Umer, Sohaib; Anand, Rohit, et al | ARTICLE | 158 |
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| 2022-10 | Upconversion and multiexciton generation in organic Mn(II) complex boost the quantum yield to > 100% | Jana, Atanu; Myung, Chang Woo; Sree, Vijaya Gopalan, et al | ARTICLE | 100 |
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| 2022-08 | Ir and NHC Dual Chiral Synergetic Catalysis: Mechanism and Stereoselectivity in gamma-Butyrolactone Formation | Bhaskararao, Bangaru; Rotella, Madeline E.; Kim, Dong Yeon, et al | ARTICLE | 211 |
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| 2022-08 | Al-Doping Driven Suppression of Capacity and Voltage Fadings in 4d-Element Containing Li-Ion-Battery Cathode Materials: Machine Learning and Density Functional Theory | Ha, Miran; Hajibabaei, Amir; Kim, Dong Yeon, et al | ARTICLE | 36 |
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| 2022-06 | Fast atomic structure optimization with on-the-fly sparse Gaussian process potentials * | Hajibabaei, Amir; Umer, Muhammad; Anand, Rohit, et al | ARTICLE | 220 |
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| 2022-06 | Crystalline-amorphous interface of mesoporous Ni2P @ FePOxHy for oxygen evolution at high current density in alkaline-anion-exchange-membrane water-electrolyzer | Meena, Abhishek; Thangavel, Pandiarajan; Jeong, Da Sol, et al | ARTICLE | 32 |
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| 2022-05 | C60 Adsorbed on TiO2 Drives Dark Generation of Hydroxyl Radicals | Sohn, So-Dam; Kim, Yohan; Jung, Sungchul, et al | ARTICLE | 461 |
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| 2022-05 | Unveiling the Role of Charge Transfer in Enhanced Electrochemical Nitrogen Fixation at Single-Atom Catalysts on BX Sheets (X = As, P, Sb) | Zafari, Mohammad; Umer, Muhammad; Nissimagoudar, Arun S., et al | ARTICLE | 294 |
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| 2022-05 | Sparse Gaussian Process Regression-Based Machine Learned First-Principles Force-Fields for Saturated, Olefinic, and Aromatic Hydrocarbons | Ha, Miran; Hajibabaei, Amir; Pourasad, Saeed, et al | ARTICLE | 34 |
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| 2022-03 | Highly Efficient Pure-Blue Perovskite Light-Emitting Diode Leveraging CsPbBrxCl3-x/Cs4PbBrxCl6-x Nanocomposite Emissive Layer with Shallow Valence Band | Choi, In Young; Baek, Sung-Doo; Takaloo, Ashkan Vakilipour, et al | ARTICLE | 266 |
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| 2022-03 | Machine learning assisted high-throughput screening of transition metal single atom based superb hydrogen evolution electrocatalysts | Umer, Muhammad; Umer, Sohaib; Zafari, Mohammad, et al | ARTICLE | 324 |
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| 2022-02 | Bifunctional oxovanadate doped cobalt carbonate for high-efficient overall water splitting in alkaline-anion-exchange-membrane water-electrolyzer | Meena, Abhishek; Thangavel, Pandiarajan; Nissimagoudar, Arun S., et al | ARTICLE | 46 |
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| 2021-12 | Late Transition Metal Doped MXenes Showing Superb Bifunctional Electrocatalytic Activities for Water Splitting via Distinctive Mechanistic Pathways | Anand, Rohit; Nissimagoudar, Arun S.; Umer, Muhammad, et al | ARTICLE | 296 |
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| 2021-10 | Perovskite solar cells with atomically coherent interlayers on SnO2 electrodes | Min,Hanul; Lee, Do Yoon; Kim, Junu, et al | ARTICLE | 875 |
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| 2021-10 | Machine Learning of First-Principles Force-Fields for Alkane and Polyene Hydrocarbons | Hajibabaei, Amir; Ha, Miran; Pourasad, Saeed, et al | ARTICLE | 234 |
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| 2021-08 | Surface enrichment of iridium on IrCo alloys for boosting hydrogen production | Dang, Ngoc Kim; Umer, Muhammad; Thangavel, Pandiarajan, et al | ARTICLE | 280 |
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| 2021-08 | Universal Machine Learning Interatomic Potentials: Surveying Solid Electrolytes | Hajibabaei, Amir; Kim, Kwang S. | ARTICLE | 277 |
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