Results 121 to 130 of about 87,943 (287)

Constructing density functional tight-binding parameters for electronic structure modeling of leadbromide perovskites, perovskitoids, and related structures

International audienceDensity Functional Tight-Binding (DFTB), a semi-empirical approach rooted in Density Functional Theory (DFT), is well-suited for simulating large periodic systems. Following [Jiang et al. Phys. Rev. Mater. 9, 023803 (2025)], we have
Quarti, Claudio, Even, Jacky, Thébaud, Simon, Pedesseau, Laurent, Raúl Lien-Medrano, Carlos, Fihey, Arnaud, van der Heide, Tammo, Aradi, Bálint, A. Sentef, Michael, Volonakis, George, Kepenekian, Mikael, Jiang, Junke, Zacharias, Marios, Katan, Claudine   +13 more
core   +1 more source

Structural and Compositional Effects on the Scintillation Properties of Fast Emitting Metal‐Organic Frameworks

Advanced Science, EarlyView.
The crystalline structure, the atomic numbers of the constituent elementsand the size of MOF crystals each influence their photoluminescence and scintillation properties in distinct ways. Together, these factors provide valuable guidelines for designing systems with optimized performance and tunable timing characteristics, arising from the synergistic ...
Francesca Cova, Jacopo Perego, Biplab Joarder, Nobuhiro Yanai, Anna Vedda, Silvia Bracco, Angiolina Comotti, Angelo Monguzzi, Irene Villa   +8 more
wiley   +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

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

Stabilizing Bulk Lead-Free Tin Halide Perovskites [PDF]

Tin halide perovskites are a growing candidate in the semiconducting materials field due to their band gap, and ability to be doped (specifically p-type doped).
Rice, William
core   +1 more source

Multiferroic‐Centric Materials and Systems Engineering for Battery Applications: An Insight Into Mechanisms, Strategies, and Characterizations

Advanced Science, EarlyView.
Multiferroic order parameters – polarization, magnetization, and ferroelastic strain – are positioned as dynamic design variables for batteries. Their mechanistic roles, practical tuning through fabrication and external fields, and ferroic‐resolved characterization routes are unified into a closed‐loop framework, revealing how coupled ferroic responses
Jiaqi Su, Yanda Zhu, Hao Peng, Manman Li, Xuzihan Zhang, Meixiao Wu, Siyuan Zhang, Yuhan Zeng, Jiwen Liao, Ming Luo, Hetaishan Huang, Yutong Wang, Sean Li, Wenxian Li   +13 more
wiley   +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

Probing Electrocatalyst Design for Product Selectivity in CO2 Reduction

Advanced Science, EarlyView.
Selective CO2 electroreduction is controlled by catalyst structure, dynamic surface reconstruction, adsorbate interactions, and reaction microenvironment. This review summarizes Cu‐ and non‐Cu‐based catalysts, single‐atom and molecular systems, degradation pathways, and operando/computational strategies for steering CO2RR toward hydrocarbons ...
Suvodeep Sen, Bapan Biswas, Apinya Ngoipala, Julia Wiktor, Ujjwal Pal, Shalini Singh   +5 more
wiley   +1 more source

Millisecond Spin Relaxation Times of Distinct Electron and Hole Subensembles in MAxFA1−xPbI3 Perovskite Crystals

Advanced Science, EarlyView.
Mixed‐cation MAx${\rm MA}_x$ FA1−x${\rm FA}_{1-x}$ PbI3${\rm PbI}_3$ perovskite crystals reveal multiple discrete electron and hole spin subensembles associated with distinct localization environments. Optically detected magnetic resonance combined with resonant spin inertia uncovers carriers spin relaxation times reaching 2 ms and identifies nuclear ...
Rongrong Hu, Sergey R. Meliakov, Dmitri R. Yakovlev, Bekir Turedi, Maksym V. Kovalenko, Manfred Bayer, Vasilii V. Belykh   +6 more
wiley   +1 more source

Green and Scalable Synthesis of Efficient and Stable CsPbBr3 Perovskite Quantum Dots Enables Low‐Threshold Amplified Spontaneous Emission

Advanced Science, EarlyView.
Green and scalable synthesis of CsPbBr3 perovskite quantum dots using bio‐sourced lecithin and hexane enables single‐batch production over 10 grams. Suppressed Auger recombination and electron‐phonon coupling yields 95% PLQY, enhanced stability, and low ASE thresholds of 230.4 (ns) and 50.1 (fs) µJ cm−2 in neat films. ABSTRACT Halide perovskite quantum
Yongfeng Liu, Mengting Zhang, Qingyu Xie, Kehao Hu, Bowen Zhang, Zhe Zhang, Jie Yang, Zhiping Hu, Juan Du, Jia Wang, Min Zhou   +10 more
wiley   +1 more source