Study on the optical properties and electronic structures of Ba-doped KH2PO4 crystals

CrystEngComm, 2023, Advance Article
DOI: 10.1039/D3CE00730H, Paper
Hao Hu, Wei Hong, Tingyu Liu, Longfeng Zhao, Jiachen Zhu
Electronic structure and one-dimensional configurational coordinate diagrams considering the electron–phonon coupling are derived to calculate the spectra.
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Optimised synthesis and further structural diversity of ytterbium benzene-1,4-dicarboxylate MOFs

CrystEngComm, 2023, Advance Article
DOI: 10.1039/D3CE00865G, Paper
Open Access Open Access
Creative Commons Licence  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Thomas W. Chamberlain, Yasmine, Claire T. Coulthard, Guy J. Clarkson, Volkan Degirmenci, Yuni K. Krisnandi, Richard I. Walton
The synthesis of coordination polymers from a single metal cation and a bridging ligands with small changes in reaction conditions yields a set of distinct materials; their hydrothermal stability is related to their structural characteristics.
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Correction: FeSe2 nanocrystalline aggregated microspheres with ultrahigh pseudocapacitive contribution for enhanced sodium-ion storage

CrystEngComm, 2023, 25,5372-5372
DOI: 10.1039/D3CE90129G, Correction
Open Access Open Access
Creative Commons Licence  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Peiyuan Wang, Yihang Hou, Gencheng Deng, Zhuofan Liu, Yonghao Li, Denggui Zhu, Dongjie Guo, Shumin Sun
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Preparation of carbon nanotube/inorganic nanoparticle composite films: CNTs with exfoliated Bi2Si2Te6 nanosheets for carbon-based thermoelectric generator applications

CrystEngComm, 2023, 25,5553-5559
DOI: 10.1039/D3CE00724C, Paper
Dabin Park, Minsu Kim, Jooheon Kim
BST NS/CNT composite film are fabricated through simple solution mixing and hot press method. The fabricated composite shows an enhanced thermoelectric power factor.
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An experimental and computational investigation of the elusive anhydrous form of Oxyma-B

CrystEngComm, 2023, Advance Article
DOI: 10.1039/D3CE00741C, Paper
Open Access Open Access
Rafel Prohens, Rafael Barbas, Beatriz G. de la Torre, Fernando Albericio, Antonio Frontera
We report a combined crystallographic and computational study on the important peptide synthesis reagent Oxyma-B. It has provided deeper insight into its solid-state landscape and its tendency for hydration.
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Data-Driven Deep Generative Design of Stable Spintronic Materials

CrystEngComm, 2023, Accepted Manuscript
DOI: 10.1039/D3CE00765K, Paper
Edirisuriya Siriwardane, Yong Zhao, Jianjun Hu
Discovering novel magnetic materials is essential for advancing the spintronic technology with significant applications in data communication, data storage, quantum computing, and etc. While Density functional theory (DFT) has been...
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Hydrothermal synthesis of nanosized Sn-beta zeolites by interzeolite transformation for glucose isomerization

CrystEngComm, 2023, 25,5588-5596
DOI: 10.1039/D3CE00771E, Paper
Jiaxing Zhang, Haoyi Lin, Guojun Lv, Weiping Liao, Hongying Lü, Zhiguo Zhu, Kaixuan Yang
Nanosized Sn-beta zeolite was hydrothermally synthesized from FAU zeolite via a novel interzeolite transformation method, which presented excellent fructose yield in glucose isomerization into fructose in water.
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Molecular beam epitaxy of InAs quantum wells on InP(001) for high mobility two-dimensional electron gases

CrystEngComm, 2023, 25,5541-5547
DOI: 10.1039/D3CE00010A, Paper
Open Access Open Access
Anna Aleksandrova, Christian Golz, Klaus Biermann, Achim Trampert, Mykhaylo Semtsiv, Helmut Weidlich, William Ted Masselink, Yukihiko Takagaki
For InAs quantum-well structures grown on InP, the dislocations generated in the strain relaxation is confined in the compositionally graded buffer layer, leaving the two-dimensional electron gases nearly unscattered by the defects.
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LiErF4 upconversion nanoparticles for the first near-infrared emission via energy management

CrystEngComm, 2023, Advance Article
DOI: 10.1039/D3CE00635B, Paper
Ying Chen, Xuegang Zheng, Meijuan Liu, Haobo Lin, Shusheng Pan, Weiwei Xing, Zhiyu Liu, Dekang Xu, Hao Lin
The upconversion nanoparticles emit strong first near-infrared emission under 980 nm excitation.
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