Results 131 to 140 of about 89,514 (247)

Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks

Advanced Science, EarlyView.
A high‐throughput screening framework based on graph neural networks (GNNs) and multi‐level validation facilitates the identification of singlet fission (SF) candidates. By efficiently predicting excitation energies across 20 million molecules, and integrating TDDFT calculations, synthetic accessibility assessments, and GW+BSE calculations, this ...
Li Fu, Longfei Lv, Fan Zhang, Si Zhou, Weiwei Gao, Jijun Zhao   +5 more
wiley   +1 more source

La-Doped CeO2 Quantum Dots: Novel Dye Degrader, Antibacterial Activity, and In Silico Molecular Docking Analysis

ACS Omega, 2023
Anum Shahzadi, Sawaira Moeen, Aryan Dilawar Khan, Ali Haider, Junaid Haider, Anwar Ul-Hamid, Walid Nabgan, Iram Shahzadi, Muhammad Ikram, Ali Al-Shanini   +9 more
doaj   +1 more source

Just Transition Toward Clean Energy Access With Focus on Lead-Based Perovskite Solar Cell Technology: Lessons, Experiences, and Future Perspectives. [PDF]

Glob Chall
Korir BK, Njema GG, Agoro MA, Malevu TD, Kibet JK.   +4 more
europepmc   +1 more source

Flexoelectricity in Photoconversion: Fundamentals, Materials, and Outlooks

Advanced Science, EarlyView.
Mechanical bending of a flexible cantilever induces a strain gradient in the photoactive material. The resulting flexoelectric field couples with photovoltaic and photoconductive effects, modulating charge generation, separation, and collection. A comparative analysis of oxide perovskites, halide perovskites, and two‐dimensional materials is presented,
Xiang Huang, Feng Li, Rongkun Zheng
wiley   +1 more source

Numerical modeling of CZTS based heterostructured solar cell for high efficiency PV performance. [PDF]

Sci Rep
Dakua PK, Bhadauria RVS, Jayakumar D, Panda R, Swain SK, Rajesh V, Maloji S, Kumar S.   +7 more
europepmc   +1 more source

Photonic‐Enabled Energy‐Efficient Transparent Neuromorphic Computing Devices: A Review

Advanced Science, EarlyView.
Transparent photonic neuromorphic computing devices merge optics and brain‐inspired computing to overcome von Neumann bottlenecks with ultrafast, low‐energy processing. By exploiting transparent oxides, 2D materials, phase‐change materials, and hybrid heterostructures, these platforms enable photonic synapses, memory, and logic for see‐through edge ...
Shuvaraj Ghosh, Ki‐bum Lee, Junghyeon Lee, Seunghee Cho, Malkeshkumar Patel, Hangfei Li, Yu Wen, Ye Zhou, Joondong Kim   +8 more
wiley   +1 more source

Progress on Synergistic Enhancement of Perovskite Solar Cell Efficiency and Stability via Defect Engineering and Carrier Dynamics Optimization. [PDF]

Small Methods
Wang D, Gu W, Li Q, Du B, Wang L.
europepmc   +1 more source

Recent Advances in Carbon Cathode Materials toward High‐Performing Zinc‐Ion Hybrid Supercapacitors

Advanced Science, EarlyView.
Aqueous zinc‐ion hybrid supercapacitors (ZHSCs) have emerged as promising next‐generation electrochemical energy‐storage devices. Porous carbon materials have been extensively studied as cathodes, with advances in tailoring pore structures and material properties to enhance performance.
Take Hirooka, Zhaolin Liu, Ivan P. Parkin, Guanjie He   +3 more
wiley   +1 more source

Optimizing perovskite solar cell interfaces with molecular bridges. [PDF]

Natl Sci Rev
Ramadan A.
europepmc   +1 more source

Halide Perovskite: A Rich Source of Thermal Insulator

Advanced Science, EarlyView.
Halide perovskites exhibit ultralow thermal conductivity driven by intrinsic lattice softness and strong anharmonicity, falling below conventional defect‐engineering limits. Weak metavalent bonding, A‐site rattling, and dynamic octahedral tilting drive phonon scattering to the Ioffe–Regel limit, where wave‐like tunneling replaces particle‐like ...
Haolin Ye, Bangzhi Ge, Yuan Yu, Chongjian Zhou   +3 more
wiley   +1 more source