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1. CH₃NH₃⁺ and Pb immobilization through PbI₂ binding by organic molecule doping for homogeneous organometal halide perovskite films

Author:
He Jiang; Qianqian Yao; Xiaoyue Zhang; Bangmin Zhang; Weiwei Xing; Yijing Sun; Weiming Xiong; Xin Luo; Wenpeng Zhu; Yue Zheng
Source:
Journal of materials chemistry A 2022 v.10 no.23 pp. 12359-12370
ISSN:
2050-7496
Subject:
crystal structure,   etc   ; nanofibers; topography;     Show all 3 Subjects
Abstract:
... Organic molecule doping is one of the main strategies to enhance the performance and sustainability of organometal halide perovskite polycrystalline films. However, the mechanisms for interpreting organic molecule doping are poorly understood, limiting the development of perovskite solar cells (PSCs). Herein, we revisit regular perovskite films and study the doping effects of two typical organic m ...
DOI:
10.1039/d2ta01340a

2. Influence of Crystal Structure, Encapsulation, and Annealing on Photochromism in Nd Oxyhydride Thin Films

Author:
Diana Chaykina; Fahimeh Nafezarefi; Giorgio Colombi; Steffen Cornelius; Lars J. Bannenberg; Herman Schreuders; Bernard Dam
Source:
Journal of physical chemistry 2022 v.126 no.4 pp. 2276-2284
ISSN:
1932-7455
Subject:
crystal structure,   etc   ; encapsulation; oxidation;     Show all 3 Subjects
Abstract:
... Thin films of rare earth metal oxyhydrides show a photochromic effect, the precise mechanism of which is yet unknown. Here, we made thin films of NdH₃–₂ₓOₓ and show that we can change the band gap, crystal structure, and photochromic contrast by tuning the composition (O²–:H–) via the sputtering deposition pressure. To protect these films from rapid oxidation, we add a thin ALD coating of Al₂O₃, w ...
DOI:
10.1021/acs.jpcc.1c10521

3. Pincer-type bisnitroxide radicals involving tetramethylenedioxy and o-xylylenedioxy bridges

Author:
Yoshiki Yamaguchi; Rina Takano; Takayuki Ishida
Source:
Tetrahedron letters 2022 v.99 pp. 153841
ISSN:
0040-4039
Subject:
crystal structure,   etc   ; models; toluene;     Show all 3 Subjects
Abstract:
... Two new pincer-type bisnitroxides have been synthesized, where tetramethylenedioxy and o-xylylenedioxy are chosen as a bridge between the p-position of two tert-butyl phenyl nitroxide moieties. The X-ray crystal structure analysis clarified the linear and U-shaped molecular structures for the former and latter compounds, respectively. In the toluene solution ESR of the tetramethylenedioxy derivati ...
DOI:
10.1016/j.tetlet.2022.153841

4. Study on the post-irradiation oxidation of polyethylenes using EPR and FTIR technique

Author:
Simei Liu; Quan Li; Jing Wang; Manli Lu; Wenli Zhang; Ke Wang; Weihua Liu; Mouhua Wang
Source:
Polymer degradation and stability 2022 v.196 pp. 109846
ISSN:
0141-3910
Subject:
crystal structure,   etc   ; degradation; oxidation;     Show all 3 Subjects
Abstract:
... To investigate the post-irradiation oxidation process, different polyethylenes (UHWPE, HDPE, LDPE) were irradiated by gamma rays in Ar and then exposed to air. The effect of crystalline structure on the post-irradiation oxidation process was evaluated combined by FTIR with EPR technique. Crystallinity and thickness of lamellae play a major role on post-irradiation oxidation, largely affecting the ...
DOI:
10.1016/j.polymdegradstab.2022.109846

5. All-vacuum deposited perovskite solar cells with glycine modified NiOₓ hole-transport layers

Author:
Cheng Fang; Qianqian Zhao; Fuping Zhao; Fuzhi Huang; Yong Peng; Zhiliang Ku; Yi-Bing Cheng; Zhengyi Fu
Source:
RSC advances 2022 v.12 no.18 pp. 10863-10869
ISSN:
2046-2069
Subject:
crystal structure,   etc   ; hysteresis; silicon; transmittance;     Show all 4 Subjects
Abstract:
... Organic–inorganic hybrid perovskite solar cells (PSCs) have attracted enormous research attention due to their high efficiency and low cost. However, most of the PSCs with high efficiencies still need expensive organic materials as their hole-transport layer (HTL). Obviously, the highly expensive materials go against the low-cost concept of advanced PSCs. In this regard, inorganic NiOₓ was conside ...
DOI:
10.1039/d2ra01360f

6. Degradation of low-density polyethylene to nanoplastic particles by accelerated weathering

Author:
Teresa Menzel; Nora Meides; Anika Mauel; Ulrich Mansfeld; Winfried Kretschmer; Meike Kuhn; Eva M. Herzig; Volker Altstädt; Peter Strohriegl; Jürgen Senker; Holger Ruckdäschel
Source:
Science of the total environment 2022 v.826 pp. 154035
ISSN:
0048-9697
Subject:
crystal structure,   etc   ; environment; nanoplastics; polyethylene;     Show all 4 Subjects
Abstract:
... When plastics enter the environment, they are exposed to abiotic and biotic impacts, resulting in degradation and the formation of micro- and nanoplastic. Microplastic is ubiquitous in every environmental compartment. Nevertheless, the underlying degradation processes are not yet fully understood. Here, we studied the abiotic degradation of commonly used semi-crystalline, low-density polyethylene ...
DOI:
10.1016/j.scitotenv.2022.154035

7. Dual Effect of Superhalogen Ionic Liquids Ensures Efficient Carrier Transport for Highly Efficient and Stable Perovskite Solar Cells

Author:
Hui Zhang; Shendong Xu; Tianle Guo; Du Du; Yuli Tao; Liying Zhang; Guozhen Liu; Xiaojing Chen; Jiajiu Ye; Zhen Guo; Haiying Zheng
Source:
ACS applied materials & interfaces 2022 v.14 no.25 pp. 28826-28833
ISSN:
1944-8252
Subject:
crystal structure,   etc   ; halogens; photosensitivity; potassium;     Show all 4 Subjects
Abstract:
... Defect accumulation and nonradiative recombination at the interface of the electron-transport layer (ETL) and the photosensitive layer are inevitable obstacles to efficient and stable perovskite solar cells (PSCs). Herein, we reported a dual-effect interface modification strategy that employs potassium tetrafluoroborate (KBF₄) molecules for the simultaneous passivation of the SnO₂/perovskite inter ...
DOI:
10.1021/acsami.2c04993

8. Dynamic, Polymer-Integrated Crystals for Efficient, Reversible Protein Encapsulation

Author:
Kenneth Han; Youjeong Na; Ling Zhang; F. Akif Tezcan
Source:
Journal of the American Chemical Society 2022 v.144 no.23 pp. 10139-10144
ISSN:
1520-5126
Subject:
crystal structure,   etc   ; biocompatible materials; encapsulation;     Show all 3 Subjects
Abstract:
... Crystalline materials are increasingly being used as platforms for encapsulating proteins to create stable, functional materials. However, the uptake efficiencies and stimuli-responsiveness of crystalline frameworks are limited by their rigidities. We have recently reported a new form of materials, polymer-integrated crystals (PIX), which combine the structural order of protein crystals with the d ...
DOI:
10.1021/jacs.2c02584

9. Molecular-Shape-Controlled Nonfused Ring Electron Acceptors for High-Performance Organic Solar Cells with Tunable Phase Morphology

Author:
Xiaodong Wang; Hao Lu; Andong Zhang; Na Yu; Guangliu Ran; Zhaozhao Bi; Xiaodi Yu; Xinjun Xu; Yahui Liu; Zheng Tang; Wenkai Zhang; Wei Ma; Zhishan Bo
Source:
ACS applied materials & interfaces 2022 v.14 no.25 pp. 28807-28815
ISSN:
1944-8252
Subject:
crystal structure,   etc   ; dissociation; energy; separation;     Show all 4 Subjects
Abstract:
... Two nonfused ring electron acceptors (NFREAs), BTh-OC8-2F and DTh-OC8-2F, with different molecular shapes are designed and synthesized. Both acceptors can form planar molecular shapes by the assistance of S···O intramolecular interactions. Differently, BTh-OC8-2F, with a linear molecular backbone and two trans-arranged side chains at the core unit, exhibits much stronger crystallinity than DTh-OC8 ...
DOI:
10.1021/acsami.2c04530

10. R–D–A and R–D−π–A Structured AIEgens: Relationship between Electronic, Conformational Characteristics and Photophysical Properties

Author:
Mingming Huang; Zhijian Wang; Zhiyong Ma; Jiping Yang
Source:
Journal of physical chemistry 2022 v.126 no.16 pp. 3082-3089
ISSN:
1520-5207
Subject:
crystal structure,   etc   ; molecular conformation; phenothiazine;     Show all 3 Subjects
Abstract:
... The design of new aggregation-induced emission luminogens (AIEgens) has aroused continuous attention. The relationship between structure and performance plays an important role in guiding such efforts. In this contribution, two R–D–A- and R–D−π–A-type AIEgens were facilely designed and synthesized, that is, DPE-PTZ-CN and DPE-PTZ-PCN, with diphenylethylene as the twisted rotor structure (R), pheno ...
DOI:
10.1021/acs.jpcb.1c10834

11. Application of a chemical clock in material design: chemically programmed synthesis of zeolitic imidazole framework-8

Author:
Norbert Német; Gábor Holló; Gábor Schuszter; Dezső Horváth; Ágota Tóth; Federico Rossi; István Lagzi
Source:
Chemical communications 2022 v.58 no.38 pp. 5777-5780
ISSN:
1364-548X
Subject:
crystal structure,   etc   ; chemical communication; imidazole; materials;     Show all 4 Subjects
Abstract:
... Here we show a time-programmed and autonomous synthesis of zeolitic imidazole framework-8 (ZIF-8) using a methylene glycol–sulfite clock reaction. The induction period of the driving clock reaction, thus, the appearance of the ZIF-8 can be adjusted by the initial concentration of one reagent of the chemical clock. The autonomously synthesized ZIF-8 showed excellent morphology and crystallinity. ...
DOI:
10.1039/d2cc01139e

12. Covalent Organic Frameworks with Irreversible Linkages via Reductive Cyclization of Imines

Author:
Sizhuo Yang; Chongqing Yang; Chaochao Dun; Haiyan Mao; Rebecca Shu Hui Khoo; Liana M. Klivansky; Jeffrey A. Reimer; Jeffrey J. Urban; Jian Zhang; Yi Liu
Source:
Journal of the American Chemical Society 2022 v.144 no.22 pp. 9827-9835
ISSN:
1520-5126
Subject:
crystal structure,   etc   ; heterocyclic compounds; imines; porosity;     Show all 4 Subjects
Abstract:
... Covalent organic frameworks (COFs) show great potential for many advanced applications on account of their structural uniqueness. To address the synthetic challenges, facile chemical routes to engineer the porosity, crystallinity, and functionality of COFs are highly sought after. Herein, we report a synthetic approach that employs the Cadogan reaction to introduce nitrogen-containing heterocycles ...
DOI:
10.1021/jacs.2c02405

13. Crystal packing reveals rapamycin-mediated homodimerization of an FK506-binding domain

Author:
Ajit Kumar Singh; Ketul Saharan; Somanath Baral; Sheng Luan; Dileep Vasudevan
Source:
International journal of biological macromolecules 2022 v.206 pp. 670-680
ISSN:
0141-8130
Subject:
crystal structure,   etc   ; chemical bonding; dimerization; rapamycin;     Show all 4 Subjects
Abstract:
... Chemically induced dimerization (CID) is used to induce proximity and result in artificial complex formation between a pair of proteins involved in biological processes in cells to investigate and regulate these processes. The induced heterodimerization of FKBP fusion proteins by rapamycin and FK506 has been extensively exploited as a chemically induced dimerization system to regulate and understa ...
DOI:
10.1016/j.ijbiomac.2022.02.107

14. Effects of organic components in cuttlebone on the morphological and mechanical properties of peroxide cross-linked cuttlebone/natural rubber composites

Author:
Thitipat Chongcharoenchaikul; Kosuke Miyaji; Preeyanuch Junkong; Sirilux Poompradub; Yuko Ikeda
Source:
RSC advances 2022 v.12 no.22 pp. 13557-13565
ISSN:
2046-2069
Subject:
crystal structure,   etc   ; crosslinking; crystallites; crystallization; rubber;     Show all 5 Subjects
Abstract:
... The clarification of the role of organic components in cuttlebone particles on the morphological and mechanical properties in terms of the strain-induced crystallization (SIC) of peroxide cross-linked cuttlebone/natural rubber (NR) composites was revealed for the first time in this study. The organic components in cuttlebone particles affected the increased bound rubber layers and the decreased ru ...
DOI:
10.1039/d2ra01885c

15. Enhanced thermoelectric performance in Sb–Br codoped Bi₂Se₃ with complex electronic structure and chemical bond softening

Author:
Ju Zhang; Shiqi Zhong; San-Huang Ke
Source:
RSC advances 2022 v.12 no.3 pp. 1653-1662
ISSN:
2046-2069
Subject:
crystal structure,   etc   ; ambient temperature; thermal conductivity;     Show all 3 Subjects
Abstract:
... Prior experimental work showed that Bi₂Se₃, as a sister compound of the best room-temperature thermoelectric material Bi₂Te₃, has remarkably improved thermoelectric performance by Sb–Br codoping. But the relationship between its crystalline structure and thermoelectric properties is still unclear to date. Here, we use first-principles calculations to explore the possible reasons for such improveme ...
DOI:
10.1039/d1ra08726f

16. Mechanism investigation of the enhanced oxygen storage performance of YBaCo₄O₇₊δ synthesized by a glycine-complex decomposition method

Author:
Ting Ru Chen; Takuya Hasegawa; Sung Hun Cho; Tomoyo Goto; Tohru Sekino; Masato Kakihana; Shu Yin
Source:
Chemical communications 2022 v.58 no.17 pp. 2822-2825
ISSN:
1364-548X
Subject:
crystal structure,   etc   ; oxygen; reaction kinetics; temperature;     Show all 4 Subjects
Abstract:
... A YBaCo₄O₇ oxygen storage material has been synthesized by the glycine-complex decomposition method at a low temperature of 800 °C and its crystal structure and reaction kinetics were investigated. This sample showed the highest storage/release speed among all the reported YBaCo₄O₇₊δ materials. ...
DOI:
10.1039/d1cc06157g

17. Opening Diffusion Pathways through Site Disorder: The Interplay of Local Structure and Ion Dynamics in the Solid Electrolyte Li₆₊ₓP₁–ₓGeₓS₅I as Probed by Neutron Diffraction and NMR

Author:
Katharina Hogrefe; Nicolò Minafra; Isabel Hanghofer; Ananya Banik; Wolfgang G. Zeier; H. Martin R. Wilkening
Source:
Journal of the American Chemical Society 2022 v.144 no.4 pp. 1795-1812
ISSN:
1520-5126
Subject:
crystal structure,   etc   ; cations; energy; neutron diffraction;     Show all 4 Subjects
Abstract:
... Solid electrolytes are at the heart of future energy storage systems. Li-bearing argyrodites are frontrunners in terms of Li⁺ ion conductivity. Although many studies have investigated the effect of elemental substitution on ionic conductivity, we still do not fully understand the various origins leading to improved ion dynamics. Here, Li₆₊ₓP₁–ₓGeₓS₅I served as an application-oriented model system ...
DOI:
10.1021/jacs.1c11571

18. Structural characterization of the water-soluble porphyrin complexes [FeII(TPPS) (NO•)]4─ and [μ-O-([FeIII(TPPS)])2]8─

Author:
Agostina Mazzeo; Carina Gaviglio; Juan Pellegrino; Fabio Doctorovich
Source:
Heliyon 2022 v.8 no.6 pp. e09555
ISSN:
2405-8440
Subject:
crystal structure,   etc   ; biomimetics; porphyrins; water solubility;     Show all 4 Subjects
Abstract:
... Iron water-soluble porphyrins have been long used as biomimetic compounds for modelling the active sites found in heme-enzymes. In this regard, the anionic porphyrin [Feᴵᴵᴵ(TPPS)]³─ and its coordination complexes have been repeatedly chosen as suitable water-soluble platforms for bioinorganic chemistry studies. In this work we report for the first time the crystal structure of the water-soluble ni ...
DOI:
10.1016/j.heliyon.2022.e09555

19. Synthesis, structure characterization and properties of a new oxidovanadium(IV) coordination polymer incorporating bridging (MoO₄)²– and (Mo₈O₂₆)⁴– ligands

Author:
Nikita N. Harmalkar; Bikshandarkoil R. Srinivasan; Sunder N. Dhuri
Source:
Zeitschrift für Naturforschung 2022 v.77 no.4-5 pp. 245-252
ISSN:
1865-7117
Subject:
crystal structure,   etc   ; coordination polymers; ligands; vanadium;     Show all 4 Subjects
Abstract:
... Hydrothermal synthesis, crystal structure and properties of a new heterometallic coordination polymer [(VO(terpy))₄(MoO₄)₂(Mo₈O₂₆)]·2H₂O (1) (terpy = 2,2′;6′,2″-terpyridine) are reported. Compound 1 contains two crystallographically unique vanadium(IV) atoms, bonded to a terminal oxido ligand and further coordinated to a terpy ligand. The three N atoms of terpy occupy the meridional sites of a dis ...
DOI:
10.1515/znb-2022-0005

20. Turning commercial MnO2 (≥85 wt%) into high-crystallized K+-doped LiMn2O4 cathode with superior structural stability by a low-temperature molten salt method

Author:
Junfei Ma; Bei Long; Qing Zhang; Yuzhu Qian; Ting Song; Wenyuan He; Manjun Xiao; Li Liu; Xianyou Wang; Yexiang Tong
Source:
Journal of colloid and interface science 2022 v.608 pp. 1377-1383
ISSN:
0021-9797
Subject:
crystal structure,   etc   ; cathodes; manganese dioxide; temperature;     Show all 4 Subjects
Abstract:
... The obtainment of low-cost, easily prepared and high-powered LiMn₂O₄ is the key to achieve its wide application in various electronic devices. In this work, a mild and easily scaled molten salt method (KCl@LiCl) is utilized to convert commercial MnO₂ to the high-performance LiMn₂O₄. At the same reaction temperature, the molten salt method leads to the formation of K⁺-doped LiMn₂O₄ with higher crys ...
DOI:
10.1016/j.jcis.2021.10.113