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Alys, Always [Electronic book] / Harriet Lane, adapted by Lucinda Coxon.

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London : Nick Hern Books, 2019.


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Alternative countrysides : Anthropological approaches to rural Western Europe today [Electronic book] / ed. by Jeremy Macclancy.

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Manchester : Manchester University Press, [2019]


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Alfred Fagon Selected Plays : Weekend Lovers [Electronic book] / Alfred Fagon.

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London : Methuen Drama, 2022.


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Alfred Fagon Selected Plays : Small World [Electronic book] / Alfred Fagon.

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London : Methuen Drama, 2022.


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Alfred Fagon Selected Plays : Shakespeare Country [Electronic book] / Alfred Fagon.

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London : Methuen Drama, 2022.


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Alfred Fagon Selected Plays : No Soldiers in St Paul's [Electronic book] / Alfred Fagon.

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London : Methuen Drama, 2022.


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Alfred Fagon Selected Plays : Four Hundred Pounds [Electronic book] / Alfred Fagon.

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London : Methuen Drama, 2022.


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Alfred Fagon Selected Plays : Adventure Inside Thirteen [Electronic book] / Alfred Fagon.

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London : Methuen Drama, 2022.


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Alfred Fagon Selected Plays : A Day in the Bristol Air Raid Shelter [Electronic book] / Alfred Fagon.

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London : Methuen Drama, 2022.


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Alcohol, psychiatry and society : Comparative and transnational perspectives, 1700-1990s [Electronic book] / ed. by Waltraud Ernst, Thomas Müller.

By encore.st-andrews.ac.uk
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Manchester : Manchester University Press, [2022]


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Akedah [Electronic book] / Michael John O'Neill.

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London : Faber & Faber (Plays), 2023.


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African cities and collaborative futures : Urban platforms and metropolitan logistics [Electronic book] / ed. by Michael Keith, Andreza Aruska de Souza Santos.

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Manchester : Manchester University Press, [2021]


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Affective intimacies [Electronic book] / ed. by Marjo Kolehmainen, Kinneret Lahad, Annukka Lahti.

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Manchester : Manchester University Press, [2022]


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The Affect Theory Reader 2 : Worldings, Tensions, Futures [Electronic book] / ed. by Gregory J. Seigworth, Carolyn Pedwell.

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Durham : Duke University Press, [2023]


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Advances in Architectural Geometry 2023 [Electronic book] / ed. by Kathrin Dörfler, Jan Knippers, Achim Menges, Stefana Parascho, Helmut Pottmann, Thomas Wortmann.

By encore.st-andrews.ac.uk
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Berlin ; Boston : De Gruyter, [2023]


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Across the margins : Cultural Identity and Change in the Atlantic Archipelago [Electronic book] / ed. by Gerry Smyth, Glenda Norquay.

By encore.st-andrews.ac.uk
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Manchester : Manchester University Press, [2018]


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Academic women : voicing narratives of gendered experiences [Electronic book] / [edited by] Michelle Ronksley-Pavia, Michelle M. Neumann, Jane Manakil and Kelly Pickard-Smith.

By encore.st-andrews.ac.uk
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London [England] : Bloomsbury Academic, 2022.


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Accurate and Interpretable Representation of Correlated Electronic Structure via Tensor Product Selected CI

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Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00049H, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Nicole M Braunscheidel, Arnab Bachhar, Nicholas J. Mayhall
The task of computing wavefunctions that are accurate, yet simple enough mathematical objects to use for reasoning has long been a challenge in quantum chemistry. The difficulty in drawing physical...
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Spinless formulation of linearized adiabatic connection approximation and its comparison with second order N-electron valence state perturbation theory

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Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00054D, Paper
Yang Guo, Katarzyna Pernal
The adiabatic connection (AC) approximation, along with its linearized variant AC0, was introduced as a method of obtaining dynamic correlation energy. When using a complete active space self-consistent field (CASSCF)...
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Transient IR Spectroscopy of Optically Centrifuged CO2 (R186−R282) and Collision Dynamics for the J=244−282 States

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Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D3FD00179B, Paper
Open Access
Michael E. Ritter, Simone Alexis DeSouza, Hannah Marie Ogden, Tara J Michael, Amy S Mullin
Collisions of optically centrifuged CO2 molecules with J=244-282 (Erot =22,800-30,300 cm-1) are investigated with high-resolution transient IR absorption spectroscopy to reveal collisional and orientational phenomena of molecules with hyper-thermal rotational...
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Orbital optimisation in xTC transcorrelated methods

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Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00036F, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Daniel Kats, Evelin Martine Corvid Christlmaier, Thomas Schraivogel, Ali Alavi
We present a combination of the bi-orthogonal orbital optimisation framework with the recently introduced xTC version of transcorrelation. This allows us to implement non-iterative perturbation based methods on top of...
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Towards Efficient Quantum Computing for Quantum Chemistry: Reducing Circuit Complexity with Transcorrelated and Adaptive Ansatz Techniques

By pubs.rsc.org
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Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00039K, Paper
Erika Magnusson, Aaron Fitzpatrick, Stefan Knecht, Martin Rahm, Werner Dobrautz
The near-term utility of quantum computers is hindered by hardware constraints in the form of noise. One path to achieving noise resilience in hybrid quantum algorithms is to decrease the...
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Quantum Embedding for Molecules with Auxiliary Particles - The Ghost Gutzwiller Ansatz

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Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00053F, Paper
Carlos Mejuto-Zaera
Strong/static electronic correlation mediates the emergence of remarkable phases of matter, and underlies the exceptional reactivity properties in transition metal-based catalysts. Modeling strongly correlated molecules and solids calls for multi-reference...
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Stabilization of lithium metal in concentrated electrolytes: effects of electrode potential and solid electrolyte interphase formation

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Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00038B, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Anusha Pradhan, Shoma Nishimura, Yasuyuki Kondo, Tomoaki Kaneko, Yu Katayama, Keitaro Sodeyama, Yuki Yamada
Lithium (Li) metal negative electrodes have enticed a wide attention for high-energy-density batteries. However, its low Coulombic efficiency (CE) due to parasitic electrolyte reduction has been an alarming concern. Concentrated...
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Computation-guided engineering of distal mutations in an artificial enzyme

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Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00069B, Paper
Open Access
Fabrizio Casilli, Miquel Canyelles-Niño, Gerard Roelfes, Lur Alonso-Cotchico
Artificial enzymes are valuable biocatalysts able to perform new-to-nature transformations with the precision and (enantio-)selectivity of natural enzymes. Although being highly engineered biocatalysts, they often cannot reach catalytic rates akin...
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Permutation Symmetry in Spin Adapted Many-Body Wave Functions

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Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00061G, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Maru Song, Ali Alavi, Giovanni Li Manni
In the domain of exchange-coupled PNTM clusters, local emergent symmetries exist which can be exploited to greatly increase the sparsity of the CI eigensolutions of such systems. Sparsity of the...
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MOF-derived Co–Mo bimetallic heterostructures for the selective trapping and conversion of polysulfides in lithium–sulfur batteries

By pubs.rsc.org
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Inorg. Chem. Front., 2024, Advance Article
DOI: 10.1039/D4QI01249F, Research Article
Rongmei Zhu, Yuxuan Jiang, Bingxin Sun, Wang Zhang, Huan Pang
Hollow CoSx/MoO3 derived from ZIF-67 shows preferred selective trapping and conversion of LiPSs as a modified separator material for LSBs.
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A solvent-free neutral cobalt complex exhibiting macroscopic polarization switching induced by directional charge transfer

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Inorg. Chem. Front., 2024, Advance Article
DOI: 10.1039/D4QI01389A, Research Article
Zi-Qi Zhou, Shu-Qi Wu, Qi-Rui Shui, Wen-Wei Zheng, Akari Maeda, Xiao-Peng Zhang, Jing Chu, Shinji Kanegawa, Sheng-Qun Su, Osamu Sato
A solvent-free neutral cobalt complex featuring a non-centrosymmetric polar structure exhibits macroscopic polarization switching induced by charge transfer.
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Multifunctional core–shell CaSnO3@N-doped carbon coaxial nanocables with excellent lithium storage performance and efficient microwave absorption

By pubs.rsc.org
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Inorg. Chem. Front., 2024, Advance Article
DOI: 10.1039/D4QI02264E, Research Article
Xiaoqiang Li, Guangguang Guan, Siyi Tong, Xin Chen, Kaiyin Zhang, Jun Xiang
It is highly desirable but challenging to design multi-functional materials for energy storage and electromagnetic (EM) wave absorption.
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Superior energy storage performance with a record high breakdown strength in bulk Ba0.85Ca0.15Zr0.1Ti0.9O3-based lead-free ceramics via multiple synergistic strategies

By pubs.rsc.org
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Inorg. Chem. Front., 2024, Advance Article
DOI: 10.1039/D4QI02126F, Research Article
Changhao Wang, Jiaxi Hao, Longxiao Duan, Jianfan Zhang, Wenfeng Yue, Zhenhao Fan, Dandan Han, Raz Muhammad, Fanxu Meng, Dawei Wang
A composition and structure optimization strategy combined with a two-step sintering (TSS) process is proposed to design and fabricate (1−x)Ba0.85Ca0.15Zr0.1Ti0.9O3−xBi(Mg1/2Sn1/2)O3 (BCZT-BMSx-TSS) lead-free ceramics.
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Near-infrared-II photothermal conversion and magnetic dynamic regulation in [Ln3Rad2] aggregation by rigidity modification of nitronyl nitroxide

By pubs.rsc.org
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Inorg. Chem. Front., 2024, Advance Article
DOI: 10.1039/D4QI01952K, Research Article
Hongdao Li, Chaoyi Jin, Jing Han, Jianke Tang, Xiaofeng Han, Zhenjun Song
Nitronyl nitroxide in Ln(III) multi-spin clusters has been utilized for realizing the regulation of NIR-II photothermal conversion and magnetic dynamics.
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Water-stable zero-dimensional hybrid zinc halide modulated by π–π interactions: efficient blue light emission and third-order nonlinear optical response

By pubs.rsc.org
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Inorg. Chem. Front., 2024, Advance Article
DOI: 10.1039/D4QI02194K, Research Article
Jia-Wei Li, Wenke Dong, Yanjie Liu, Yuhan Li, Lu-Yuan Qiao, Guang-Lu Liu, Hui Zhang, Chunjie Wang, Hui-Li Zheng, Jian-Qiang Zhao
Waterproof 0D hybrid Zn halide with highly efficient blue emission and third-order nonlinear optical response was constructed by the microregulating of π–π interactions, offering new insights for designing stable multifunctional halide materials.
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Amorphous MoaZr0.8Ox-500 catalyzed selective oxidation of sulfides to sulfoxides mediated by 1O2 from direct heterolytic cleavage of H2O2

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Inorg. Chem. Front., 2024, Advance Article
DOI: 10.1039/D4QI02008A, Research Article
Tong Li, Jiaheng Qin, Xueyao Zhang, Xiaoqi Tang, Mingzhe Lv, Weiwen Mao, Linkun Dong, Tongtong Fan, Yu Long, Jiantai Ma
Sulfoxides, a class of pharmaceuticals and fine chemicals of significant importance, are readily peroxidized to sulfones in the H2O2 system.
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Significant adsorption enhancements driven by pore microenvironment tuning for efficient C2H2/C2H4 separation in a chemically stable Ni7-cluster-based framework

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Inorg. Chem. Front., 2024, Advance Article
DOI: 10.1039/D4QI01856G, Research Article
Yunli Wang, Rizhao Zhang, Jin-Peng Xue, Yuqiao Chai, Bao Li, Jia Li
This study presents a stable Ni7-cluster MOF with enhanced adsorption through pore microenvironment tuning. Two types of guest-free frameworks achieve C2H2/C2H4 separation, providing deep insights into separation mechanisms.
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Engineering a pyrene MOF composite photocatalyst toward the formation of carbon dioxide radical anions through regulating the charge transfer from type II to Z scheme via a chemical bond-modulated strategy

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Inorg. Chem. Front., 2024, Advance Article
DOI: 10.1039/D4QI02072C, Research Article
Xin Zhao, Yajun Zhao, Yuan-Peng Li, Pengbo Lyu, Chunying Chen, Zong-Wen Mo, Chao Peng, Jiewei Liu, Li Zhang
A new approach was reported for regulating the charge transfer mechanism in a pyrene-based MOF composite, transitioning from a type-II to a Z-scheme configuration.
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Sulfonylcalix[4]arene-based Al4 clusters: three aluminum oxo clusters with different coordinated solvents for the CO2 cycloaddition reaction

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Inorg. Chem. Front., 2024, Advance Article
DOI: 10.1039/D4QI02096K, Research Article
Xiao-Jie Liu, Long-Xue Guo, Wei Xu, Ya-Wen Wang, Yuan-Hang Tian, Li-Xing Zhao, Xiao-Yu Li, Jin-Hua Li, Guo-Ming Wang
By using a macrocyclic H4BTC4A-SO2 ligand, we successfully synthesized three Al4 clusters with different solvents, which exhibit different potentials to expose metal active sites for the catalytic reaction. of cycloaddition of carbon dioxide.
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Chalcogen bond provided supramolecular association of beta-octamolybdate and chalconium cations

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Inorg. Chem. Front., 2024, Accepted Manuscript
DOI: 10.1039/D4QI02258K, Research Article
Anna A Mukhacheva, Vadim V. Yanshole, Mikhail V. Il’in, Alexander S. Novikov, Dmitrii Bolotin, Maksim Nailyevich Sokolov, Pavel A Abramov
The interactions of triple σ-(QIV)-hole donating chalconium cations ([Q(bPh)R]+, when Q = S, Se, Te) with nucleophilic beta-octamolybdate ([β-Mo8O26]4–) results in supramolecular association. The main focus of such assembling is...
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Reversible on–off switching of a single-chain magnet via single-crystal-to- single-crystal transition- and light-induced metal-to-metal electron transfer

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Inorg. Chem. Front., 2024, Accepted Manuscript
DOI: 10.1039/D4QI01691B, Research Article
Meng-Jia Shang, Han-Han Lu, Qiang Liu, Ren-He Zhou, Hui-Ying Sun, Zhen Shao, Liang Zhao, Yin-Shan Meng, Tao Liu
The development of single-chain magnets with reversible and adjustable properties is of great significance for achieving high-density information storage and switching devices with multi-stimuli responsiveness whilst remains a challenging task....
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Boosted aluminum storage performance by d–p orbital modulation in zinc selenide with manganese element dopants

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Inorg. Chem. Front., 2024, Advance Article
DOI: 10.1039/D4QI02173H, Research Article
Han Wang, Rongkai Kang, Boya Zhang, Xingchang Zhang, Guowen Chen, Yiqun Du, Jianxin Zhang
By modulating the band center, Mn-ion doping strategy enhances electronic conductivity and improves interaction with solvent groups, thereby achieving high capacity, enhanced kinetics, and long-term cycling in rechargeable aluminum batteries.
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A novel cerium-based metal-organic framework supported Pd catalyst for semi-hydrogenation of phenylacetylene

By pubs.rsc.org
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Inorg. Chem. Front., 2024, Accepted Manuscript
DOI: 10.1039/D4QI02225D, Research Article
Open Access
Xiangdi Zeng, Zi Wang, Meng He, Wanpeng Lu, Wenyuan Huang, Bing An, Jiangnan Li, Li Mufan, Ben Spencer, Sarah Day, Floriana Tuna, Eric J L McInnes, Martin Schroder, Sihai Yang
Phenylacetylene is a detrimental impurity in the polymerisation of styrene, capable of poisoning catalysts even at ppm levels and significantly degrading the quality of polystyrene. The semi-hydrogenation of phenylacetylene to...
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A novel extra-broadband visible-emitting garnet phosphor for efficient single-component pc-WLEDs

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Inorg. Chem. Front., 2024, Advance Article
DOI: 10.1039/D4QI01824A, Research Article
Qianyi Chen, Zhenjie Lun, Dongdan Chen, Yongsheng Sun, Puxian Xiong, Siyun Li, Shanhui Xu, Zhongmin Yang
A defect engineering strategy mediated by the structural cationic substitution is proposed and experimentally demonstrated for ultra-broadband emission in a garnet Y3Sc2Al3O12:B3+ phosphor.
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Large optical anisotropy in noncentrosymmetric phosphate with pseudo 2D intercalated layer

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Inorg. Chem. Front., 2024, Advance Article
DOI: 10.1039/D4QI02245A, Research Article
Qiao Xia, Xingxing Jiang, Lu Qi, Chao Wu, Zheshuai Lin, Zhipeng Huang, Mark G. Humphrey, Kazuyuki Tatsumi, Chi Zhang
A noncentrosymmetric phosphate (C3H5N2)(H2PO4) with pseudo 2D intercalated layers, which exhibits large birefringence and wide band gap, was successfully synthesized by simultaneously introducing the planar and tetrahedral motifs.
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Exploring the optimal post-treatment strategy for boosting the electrochemical performances of a new bimetal–organic framework-based supercapacitor

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Inorg. Chem. Front., 2024, Advance Article
DOI: 10.1039/D4QI02314E, Research Article
Xinwen Dou, Mingyue Liu, Tian Cao, Chan Wang, Yingjie Zhang, Yuhang Jia, Qiang Ju, Zhenlan Fang
Effects of four kinds of post-treatment strategies on the structures, morphologies, and electrochemical behaviors of MOF derivatives are systematically investigated for the first time.
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Unprecedented aluminum molecular ring based-layer with tailorable optical limiting effect

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Inorg. Chem. Front., 2024, Advance Article
DOI: 10.1039/D4QI02507E, Research Article
Lin Geng, Di Wang, Ran-Qi Chen, San-Tai Wang, Chan Zheng, Wei-Hui Fang, Jian Zhang
This study achieved structural modulation from 0D aluminum rings to 2D MOF via a coordination-driven self-assembly strategy. Notably, the exfoliated nanosheets showed enhanced NLO properties, highlighting their potential in optical applications.
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Three-dimensional porous rhodium–copper alloy nanoflowers stereoassembled on Ti3C2Tx MXene as highly-efficient methanol oxidation electrocatalysts

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Inorg. Chem. Front., 2024, Advance Article
DOI: 10.1039/D4QI02182G, Research Article
Haiyan He, Yue Lan, Jinlong Qin, Quanguo Jiang, Lu Yang, Jian Zhang, Huajie Huang
An in situ soft-chemistry approach is adopted for fabricating 3D porous rhodium–copper alloy nanoflowers stereoassembled on ultrathin Ti3C2Tx lamellas, which are able to serve as highly-efficient electrocatalysts toward alkaline methanol oxidation.
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A highly active and durable NiMoCuCo catalyst with moderated hydroxide adsorption energy for efficient hydrogen evolution reaction

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Inorg. Chem. Front., 2024, Advance Article
DOI: 10.1039/D4QI01947D, Research Article
Hyeonggeun Choi, Seunghwan Jo, Ki Hoon Shin, HeeYoung Lim, Liting Zhang, Keon Beom Lee, Young-Woo Lee, Jung Inn Sohn
A charge valence state and surface-electronegativity-modulated NiMoCuCo composite is proposed as an active and durable alkaline hydrogen evolution reaction electrocatalyst with moderated hydroxide adsorption energy.
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Toward highly efficient TADF-active Cu(I), Ag(I) and Au(I) carbene complexes using symmetry-based design strategy

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Inorg. Chem. Front., 2024, Advance Article
DOI: 10.1039/D4QI01996B, Research Article
Alexander V. Artem'ev, Maxim I. Rogovoy, Ilia M. Odud, Maria P. Davydova, Marianna I. Rakhmanova, Pavel A. Petrov, Valery K. Brel, Oleg I. Artushin, Konstantin A. Brylev, Denis G. Samsonenko, Alexey S. Berezin, Dmitry E. Gorbunov, Nina P. Gritsan
Tetraphosphine-carbene Cu(I), Ag(I) and Au(I) complexes, synthesized via a symmetry-based design strategy, exhibit cyan to yellow TADF with excellent quantum yields (58–89%) and reduced lifetimes.
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Reconstruction and immobilization of polymolybdate induced by metal-organic coordination units for enhanced electrocatalytic hydrogen generation

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Inorg. Chem. Front., 2024, Accepted Manuscript
DOI: 10.1039/D4QI02311K, Research Article
Jingyi Ma, Zhihan Chang, Xue Xi, Juju Liang, Yuchun Lin, Yaling Zhu, Xiuli Wang
Electrocatalytic water cracking for hydrogen evolution has drawn the concern from researchers owing to its high efficiency. Polymolybdate has excellent redox behaviors and O-rich surface, becoming attractive electrocatalytic materials. In...
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Facet-engineered CeO2 with Cu single atom drives photocatalytic selective oxidation of 5-hydroxymethylfurfural

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Inorg. Chem. Front., 2024, Accepted Manuscript
DOI: 10.1039/D4QI02230K, Research Article
Yifei Li, Senyao Meng, Ping Wang, Miao He, Jiasai Yao, Cheng Yang, Fangzhou Mo, Jiang Li, Zhenxing Li
The crystal facet of CeO2 is crucial in governing the catalytic performance. However, studies on the relationship between the photocatalytic oxidation performance of CeO2 and its crystal facets are scarce....
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Fe3O4-decorated MXene for the effective removal of 133Ba and 137Cs: synthesis, characterization, and optimization via response surface methodology (RSM)

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Inorg. Chem. Front., 2024, 11,7860-7871
DOI: 10.1039/D4QI00404C, Research Article
Shalu Atri, Vipul Vilas Kusumkar, Süleyman İnan, Maros Gregor, Tomas Roch, Maria Caplovicova, Michal Galambos, Eva Viglasova, Gustav Plesch, Martin Motola, Olivier Monfort
The potential activity of Fe3O4 decorated MXenes in the removal of highly toxic 133Ba and 137Cs using a radioactive indicator method.
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