Results 31 to 40 of about 276 (171)

Filling Voids: Cubic Carbodiimide Nitride Nitridometalates (Ba6Nx)2[MN4][CN2]6 of M = Zr, Hf, Nb, Ta, Mo, and W

Zeitschrift für anorganische und allgemeine Chemie, Volume 651, Issue 17, November 25, 2025.
The crystal structures of (Ba6Nx)2[MN4][CN2]6 (left) and “ideal” 2 × 2 × 2 Perovskite (right) show similar linkage patterns despite differently shaped coordination polyhedra. Cubic carbodiimide nitride nitridometalates (Ba6Nx)2[MN4][CN2]6 of M = Zr, Hf, Nb, Ta, Mo, and W are synthesized by various high‐temperature reactions and their respective crystal
Peter Höhn, Lukas Link, Olaf Reckeweg, Yurii Prots, Rainer Niewa   +4 more
wiley   +1 more source

Deep Seek to the Excited States: A Thermally‐Activated Jahn–Teller Effect Achieves Superior Sensitivity for Thermometry at Cryogenic Temperature

Advanced Optical Materials, Volume 13, Issue 32, November 14, 2025.
A Sb3+‐activated bismuth‐based halide single crystal shifts the onset temperature by ≈200 K. The confluence of the spin‐orbit interaction and the dynamic Jahn–Teller effect is responsible for maximizing the opposite emission changes at different temperatures. A high relative sensitivity (Sr) value of 18.9 % K−1 is obtained at 77 K.
Weihao Wang, Fang Zeng, Guixin Liu, Shihan Xia, Yuhui Zheng, Markus Suta, Qianming Wang   +6 more
wiley   +1 more source

Halide Perovskites for Supercapacitors and Photosupercapacitors: Recent Developments and Future Perspectives

Small, Volume 21, Issue 39, October 2, 2025.
This article provides a comprehensive review of supercapacitor and photosupercapacitor applications of halide perovskites and their future perspectives. Abstract Supercapacitors have garnered significant research interest as high‐performance energy storage devices, owingto their high power density and excellent recyclability.
Chandra Sekhar Rout, Pratik Shinde, Mohammed Arkham Belgami, Jung Sang Cho, Sang Mun Jeong   +4 more
wiley   +1 more source

The Importance of Metal Ion Impurity Bands in the Photoluminescence of Halide Double Perovskites

Advanced Optical Materials, Volume 13, Issue 17, June 17, 2025.
Many publications have associated emission spectral features of double perovskite halides in the region at 460–470 nm with “pristine” materials. This leads to not only false observations but also incorrect conclusions concerning the transformation of dark into bright excitons or boosting self‐trapped exciton emission.
Hei‐Yui Kai, Daiwen Xiao, Ka‐Leung Wong, Chang‐Kui Duan, Peter A. Tanner   +4 more
wiley   +1 more source

Not Just Another Crystal Field Software

Journal of Computational Chemistry, Volume 46, Issue 6, March 5, 2025.
NJA‐CFS is a Python toolkit for crystal field/ligand field calculations on transition metal and lanthanide complexes. It offers various parametrization schemes and tools for CF parameter manipulation and rotation. This manuscript details the theoretical foundations, compares results with experiments and ab initio calculations, and provides intuitive ...
Letizia Fiorucci, Enrico Ravera
wiley   +1 more source

Six metal cations in one double perovskite: exploring complexity of chloride elpasolites by high-throughput experimentation [PDF]

A high-throughput screening of lead-free double chloride perovskites Cs2MIMIIICl6 is performed combining combinatorial robot-assisted synthesis with accelerated structural and spectral characterizations.
Hauch, Jens, Brabec, Christoph, Brabec, Christoph J., Stroyuk, Oleksandr, Daum, Manuel, Raievska, Oleksandra   +5 more
core   +1 more source

Conduction Band Tuning by Controlled Alloying of Fe into Cs2AgBiBr6 Double Perovskite Powders

Advanced Functional Materials, Volume 34, Issue 50, December 9, 2024.
Here, it is shown that controlled alloying of Cs2AgBiBr6 with Fe3+ via mechanochemical synthesis results in a tunable absorption onset between 2.1 and ≈1 eV. First‐principles density functional theory calculations suggest that this bandgap reduction originates from a lowering of the conduction band upon the introduction of Fe3+. These findings open new
Huygen J. Jöbsis, Kostas Fykouras, Joost W.C. Reinders, Jacco van Katwijk, Joren M. Dorresteijn, Tjom Arens, Ina Vollmer, Loreta A. Muscarella, Linn Leppert, Eline M. Hutter   +9 more
wiley   +1 more source

Wide‐Bandgap Perovskite‐Inspired Materials: Defect‐Driven Challenges for High‐Performance Optoelectronics

Advanced Functional Materials, Volume 34, Issue 50, December 9, 2024.
Wide‐bandgap and air‐stable perovskite‐inspired materials (PIMs) are low‐toxicity alternatives to lead‐halide perovskites (LHPs). However, the optoelectronic performance of PIMs is far inferior to that of the LHPs, particularly due to a high defect density.
G. Krishnamurthy Grandhi, David Hardy, Mokurala Krishnaiah, Brenda Vargas, Basheer Al‐Anesi, Mahesh P. Suryawanshi, Diego Solis‐Ibarra, Feng Gao, Robert L. Z. Hoye, Paola Vivo   +9 more
wiley   +1 more source

Die Kristallstruktur von [(CH3)4N]2TeCl6 und über die Einschlußverbindung [(CH3)4N]2(CH3CN)TeCl6 [PDF]

, 1986
Both title compounds show an antifluorite-like arrangement of (CH3)4N+ cations and TeCl6 2- anions. The remaining octahedral holes in this array can be filled with CH3CN molecules forming the inclusion compound by crystallization from CH3CN solution ...
Abriel, Walter
core   +1 more source

Elucidating the Role of Ligand Engineering on Local and Macroscopic Charge‐Carrier Transport in NaBiS2 Nanocrystal Thin Films

Advanced Functional Materials, Volume 34, Issue 29, July 17, 2024.
NaBiS2 has high air stability and strong absorption at and above its pseudo‐direct bandgap of 1.4 eV. However, the long‐chain organic ligands necessary for synthesis impede charge‐carrier transport in NaBiS2. Herein, both intra‐nanocrystal and inter‐nanocrystal charge‐carrier mobilities are enhanced through ligand exchange with inorganic iodide ligands,
Yi‐Teng Huang, Markus Schleuning, Hannes Hempel, Youcheng Zhang, Marin Rusu, Thomas Unold, Artem Musiienko, Orestis Karalis, Nora Jung, Szymon J. Zelewski, Andrew J. Britton, Natalie Ngoh, Weixin Song, Louise C. Hirst, Henning Sirringhaus, Samuel D. Stranks, Akshay Rao, Igal Levine, Robert L. Z. Hoye   +18 more
wiley   +1 more source