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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.

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.

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.

London [England] : Bloomsbury Academic, 2022.




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Abundance : Sexuality's History [Electronic book] / Anjali Arondekar.

Durham : Duke University Press, [2023]




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549: Scots of the Spanish Civil War [Electronic book] / Robbie Gordon, Jack Nurse,.

London : Methuen Drama, 2022.




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71 Coltman Street [Electronic book] / Richard Bean.

London : Methuen Drama, 2022.




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33 revolutions per minute : a history of protest songs [Electronic book] / Dorian Lynskey.

London : Faber & Faber, Limited, 2010.




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1 and 2 Samuel [Electronic book] / V. Philips Long.

Nottingham, England : Inter-Varsity Press ; Downers Grove, Illinois : Intervarsity Press, 2020.




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The spell of the sensuous : perception and language in a more-than-human world / David Abram.

New York : Vintage Books, a division of Random House, Inc., [1997]




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Fluke [electronic resource] : chance, chaos, and why everything we do matters / Brian Klaas.

New York : Scribner, 2024.




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Contemporary pragmatism [electronic resource]. --

Leiden, The Netherlands : Brill, 2004-




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Morale [electronic resource] : a modern British history / Daniel Ussishkin.

New York, NY : Oxford University Press , 2017.




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

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

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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Unravelling the complex speciation of halozincate ionic liquids using X-ray spectroscopies and calculations

Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00029C, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Jake Seymour, Ekaterina Gousseva, Frances Towers Tompkins, Lewis Parker, Najaat Alblewi, Coby James Clarke, Shusaku Hayama, Robert Palgrave, Roger Bennett, Richard Paul Matthews, Kevin R. J. Lovelock
Using a combination of liquid-phase experimental X-ray spectroscopy experiments and small-scale calculations we have gained new insights into the speciation of halozincate anions in ionic liquids (ILs). Both core and...
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On the notion of strong correlation in electronic structure theory

Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00066H, Paper
Brad Ganoe, James Shee
Strong correlation has been said to have many faces, and appears to have many synonyms of questionable suitability. In this work we aim not to define the term once and...
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Orbital optimisation in xTC transcorrelated methods

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

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...
The content of this RSS Feed (c) The Royal Society of Chemistry




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Stabilization of lithium metal in concentrated electrolytes: effects of electrode potential and solid electrolyte interphase formation

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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MOF-derived Co–Mo bimetallic heterostructures for the selective trapping and conversion of polysulfides in lithium–sulfur batteries

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.
To cite this article before page numbers are assigned, use the DOI form of citation above.
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Multifunctional core–shell CaSnO3@N-doped carbon coaxial nanocables with excellent lithium storage performance and efficient microwave absorption

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.
To cite this article before page numbers are assigned, use the DOI form of citation above.
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Amorphous MoaZr0.8Ox-500 catalyzed selective oxidation of sulfides to sulfoxides mediated by 1O2 from direct heterolytic cleavage of H2O2

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.
To cite this article before page numbers are assigned, use the DOI form of citation above.
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Vibrational analysis of auranofin complexes with cysteine and selenocysteine unveils distinct binding motifs and specific unimolecular reactivity

Inorg. Chem. Front., 2024, Advance Article
DOI: 10.1039/D4QI02023E, Research Article
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Roberto Paciotti, Davide Corinti, Cecilia Coletti, Nazzareno Re, Giel Berden, Jos Oomens, Simonetta Fornarini, Maria Elisa Crestoni
The [(Et3P)AuCys]+ and [(Et3P)AuSec]+ ions and their deamination products were characterized using IRMPD spectroscopy backed by DFT calculations finding differences in binding motifs and reactivity.
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Achieving high power density and stability in aqueous Mg–air batteries using taurine electrolyte additives

Inorg. Chem. Front., 2024, Advance Article
DOI: 10.1039/D4QI01842G, Research Article
Sha Jianchun, Wang Qiang, Li Xue, Liu Zhoulin, Bao Jiaxin, Li Lianhui, Tian Jie, Chen Weilong, Liu Wenhong, Zhang Zhiqiang
Aqueous Mg–air batteries are promising candidates for large-scale energy storage, but their practical application is significantly hindered by water-induced parasitic reactions and the chunk effect.
To cite this article before page numbers are assigned, use the DOI form of citation above.
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Strategic pathway selection for photocatalytic degradation: roles of holes and radicals

Inorg. Chem. Front., 2024, Advance Article
DOI: 10.1039/D4QI01635A, Review Article
Yixuan Li, Xu Gao, Yuxin Li
As global resources become scarce and environmental issues become increasingly severe, developing photocatalytic technology for efficiently and cleanly degrading pollutants has become a research trend.
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Heterointerface synergy between a 3 × 3 tunnel τ-MnO2 cathode and Mg2(OH)3Cl·4H2O for achieving long cycle-life aqueous zinc-ion batteries

Inorg. Chem. Front., 2024, Advance Article
DOI: 10.1039/D4QI02572E, Research Article
Fang Xu, Jialin Zheng, Dai-Huo Liu, Ao Wang, Zhenjiang Li, Chunyan Xu, Mengqin Song, Beinuo Zhang, Zhengyu Bai, Zhongwei Chen
The prepared of τ-MnO2–Mg2(OH)3Cl·4H2O heterostructure cathode material enhances Zn-ion diffusion, increases the proportion of Mn(IV) and suppresses structural instability, thereby improving the cycling stability of τ-MnO2.
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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

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....
The content of this RSS Feed (c) The Royal Society of Chemistry




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Boosted aluminum storage performance by d–p orbital modulation in zinc selenide with manganese element dopants

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

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...
The content of this RSS Feed (c) The Royal Society of Chemistry




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A novel extra-broadband visible-emitting garnet phosphor for efficient single-component pc-WLEDs

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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Strontium doping RuO2 electrocatalyst with abundant oxygen vacancies for boosting OER performance

Inorg. Chem. Front., 2024, Accepted Manuscript
DOI: 10.1039/D4QI02070G, Research Article
Bei An, Xiaoqian Li, Yuan Lin, Fanfan Shang, Huijie He, Hairui Cai, Xiaoxiao Zeng, Weitong Wang, Shengchun Yang, Bin Wang
Oxygen evolution reaction (OER) plays a crucial role as the anode reaction of electrolytic water in various applications. To date, it is still a great challenge to develop highly active...
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Exploring the optimal post-treatment strategy for boosting the electrochemical performances of a new bimetal–organic framework-based supercapacitor

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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Three-dimensional porous rhodium–copper alloy nanoflowers stereoassembled on Ti3C2Tx MXene as highly-efficient methanol oxidation electrocatalysts

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.
To cite this article before page numbers are assigned, use the DOI form of citation above.
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Reconstruction and immobilization of polymolybdate induced by metal-organic coordination units for enhanced electrocatalytic hydrogen generation

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

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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High-efficiency tunable self-trapped exciton emission in one-dimensional β-Cs3Cu2Br5via Ag alloying for optoelectronic applications

Inorg. Chem. Front., 2024, 11,7793-7802
DOI: 10.1039/D4QI00970C, Research Article
Xin Xu, Zhongyi Wang, Qingkun Kong, Siping Liu, Ruiling Zhang, Xiaojing Liu, Keli Han
Metastable 1D β-Cs3Cu2Br5 synthesized by rapid cooling could be stabilized by Ag+. Ag-alloyed samples exhibit tunable emission from blue-greenish to yellow, which is attributed to different degrees of lattice distortion regulated by Ag+.
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Exchange of equatorial ligands in protein-bound paddlewheel Ru25+ complexes: new insights from X-ray crystallography and quantum chemistry

Inorg. Chem. Front., 2024, 11,7803-7811
DOI: 10.1039/D4QI01846J, Research Article
Open Access
Aarón Terán, Francesca Fasulo, Giarita Ferraro, Ana Edilia Sánchez-Peláez, Santiago Herrero, Michele Pavone, Ana Belén Muñoz-García, Antonello Merlino
The reactivity of [Ru2Cl(D-p-CNPhF)(O2CCH3)3]n (D-p-CNPhF = N,N'-bis(4-cyanophenyl)formamidinate) with the model protein RNase A has been investigated by X-ray crystallography and Quantum Chemistry.
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Selective and catalytic conversion of hydroxymethyl cytosine into formyl cytosine using a synthetic model of TET enzymes

Inorg. Chem. Front., 2024, 11,7930-7935
DOI: 10.1039/D4QI01965B, Research Article
Dipanwita Palit, Debasish Manna
TET enzymes play a key role in epigenetic regulation by oxidizing 5-methylcytosine, impacting gene expression and DNA methylation. Here, we report a chemical model of the TET enzyme which selectively and catalytically oxidize 5-hydroxymethylcytosine.
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Rationally reconstructing the surface microstructure of a chemical bath deposited electron transport layer for efficient and stable perovskite solar cells

Inorg. Chem. Front., 2024, 11,7910-7920
DOI: 10.1039/D4QI01808G, Research Article
Xinxuan Yang, Lexin Wang, Meihan Liu, Jiahui Jin, Lili Yang, Lin Fan, Maobin Wei, Huilian Liu, Haoran Chen, Jinghai Yang, Yulei Chang, Fengyou Wang
A reconstruction strategy is designed to manipulate the surface microstructure of a CBD SnO2 ETL, yielding PSCs with a high PCE >24%.
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A high-entropy FeCoMnCuNi diselenide self-standing electrode with outstanding water-electrolysis performance in alkaline medium

Inorg. Chem. Front., 2024, 11,7936-7946
DOI: 10.1039/D4QI01835D, Research Article
Xinxin Guo, Mengmeng Zhou, Ziwu Liu, Shiheng Mu, Kaijia Wang, Huanqiang Shi, Fang Wang, Shijian Lu, Zhonghai Ni, Guiqing Liu
A self-standing high-entropy FeCoMnCuNiSe2 electrode exhibited superior HER activity and OWS performance due to high entropy, lattice distortion and tip-enhancement effects.
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Equivalent cation-tuning to realize a new Ce(IV) fluoride with excellent comprehensive nonlinear optical performances

Inorg. Chem. Front., 2024, 11,8130-8138
DOI: 10.1039/D4QI02088J, Research Article
Bei-Bei Zhang, Wen-Ye Gao, Wei Xu, Liang Ma, Wenlong Liu, Ru-Ling Tang, Sheng-Ping Guo
The acentric Ce(IV) fluoride NH4Ce3F13 is systematically studied, exhibiting the strong SHG effect (1.2 × KDP) and high LIDTs (39 × AGS). It also possesses the largest band gap among NLO materials containing Ce(IV).
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Towards ultra-sensitive multimodal luminescent thermometers enabled by high crystal field strength of Lu2CaMg2Ge3O12:Yb3+,Nd3+,Er3+ phosphors

Inorg. Chem. Front., 2024, 11,7955-7965
DOI: 10.1039/D4QI01767F, Research Article
Zhijiao Zhao, Mengmeng Dai, Kejie Li, Guiying Liang, Yanling Wei, Zuoling Fu
An effective full-spectrum thermometer covering from the visible to NIR-II band was designed based on garnet Lu2CaMg2Ge3O12:Yb3+,Er3+/Nd3+ phosphors; meanwhile, Er3+ (4I13/2) split into four Stark sublevels due to high crystal field strength.
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A long-range synergistic effect between Ptn clusters and Zn1 single atoms for efficient selective hydrogenations

Inorg. Chem. Front., 2024, 11,7822-7830
DOI: 10.1039/D4QI02027H, Research Article
Haisheng Wei, Jing Li, Xiaorui Yan, Tiantian Liu, Kairui Li, Dan Feng, Yujing Ren
Benefiting from the long-range synergistic effect between Ptn clusters and Zn1 single atoms, Ptn@Zn1-N–C displays superior catalytic performance in selective hydrogenations.
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Unusual solvent-regulated inversion of a metal stereocenter in an enantiopure Eu2L4 helicate: a new strategy for CPL inversion

Inorg. Chem. Front., 2024, 11,8093-8100
DOI: 10.1039/D4QI02276A, Research Article
Qing Ma, Sen Yin, Ziye Song, Ting Gao, Pengfei Yan, Yanyan Zhou, Hongfeng Li
The dinuclear helicate Eu2(LR)4 exhibits a solvent-regulated metal stereocenter Δ/Λ configurational inversion, independent of P/M helical conformational conversion. This reversal process is accompanied by an inversion of the CPL.
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Shooting short-wavelength nonlinear optical materials with targeted balance performances in hydroxyborates through first-principles high-throughput screening

Inorg. Chem. Front., 2024, 11,7843-7852
DOI: 10.1039/D4QI02234C, Research Article
Chenxu Li, Abudukadi Tudi, Huanhuan Cheng, Qingyu Liu, Zhihua Yang, Shilie Pan
High-throughput screening of 222 hydroxyborates identified three as promising short-wavelength ultraviolet nonlinear optical. with phase-matching second harmonic generation capacity extending to the solar blind region (200–280 nm).
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Coordination tuning of Ni/Fe complex-based electrocatalysts for enhanced oxygen evolution

Inorg. Chem. Front., 2024, 11,8110-8122
DOI: 10.1039/D4QI01934B, Research Article
Hongbo Zhou, Xuan Hao, Jiexin Guan, Yilin Deng, Zi Wei, Yashu Liu, Guoxing Zhu
The 2,2'-bpy coordination shells surrounding the Ni/Fe active sites of NiFe(2,2'-bpy)n@CNT materials effectively boost OER catalysis.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Critical metal recovery from spent lithium-ion batteries’ leaching solution using electrodialysis technologies: strategies and challenges

Inorg. Chem. Front., 2024, 11,7775-7792
DOI: 10.1039/D4QI01978D, Review Article
Tianshu Zhang, Yijun Qian, Changyong Zhang, Tao Qian, Chenglin Yan
This review overviews the recent advances in electrodialysis (ED) in extracting critical metals from spent battery leachate. In addition, strategies and challenges regarding ED techniques toward battery recycling are pointed out.
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Stable solid-state potassium metal batteries enabled by a KB11H14·2Me3NBH3 complex electrolyte

Inorg. Chem. Front., 2024, Accepted Manuscript
DOI: 10.1039/D4QI02372B, Research Article
Guo-guo Zhang, Pengtao Qiu, Jiaxin Kang, Zhiwei Lu, An-qi Zhu, Xiaohu Yu, Xuenian Chen
Solid-state potassium metal batteries have increasingly gained attention as promising alternatives in large-scale energy storage due to their safety and low cost. However, these batteries usually suffer from a lack...
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Hierarchical FeCo LDH/NiSe heterostructure electrocatalysts with rich heterointerfaces for robust water splitting at industrial-level current density

Inorg. Chem. Front., 2024, Accepted Manuscript
DOI: 10.1039/D4QI02426E, Research Article
Weiwei Han, Wenyi Wang, Jiahong Liao, Yi He, Xingwang Zhang, Chunlin Yu
Sustainable hydrogen production by electrocatalytic water splitting is a promising energy storage technology yet challenging due to the sluggish kinetics of the oxygen evolution reaction (OER). Rationally designed robust and...
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Ultrathin 2D NiCo-MOF bimetallic nanosheets as single-atom catalysts for chemoselective hydrogenation of nitroarenes

Inorg. Chem. Front., 2024, Accepted Manuscript
DOI: 10.1039/D4QI02343A, Research Article
Yu-Xuan Zhang, Yi-Jie Ma, Yu-Jia Zhao, Zi-Yan Wang, Cai-Xia Yu, Xiaoqiang Li, Lei-Lei Liu
Exploration of non-noble-metal-based catalysts with high catalytic activity and selectivity is significant for driving innovation in green chemistry and technology. Herein, we report a facile synthesis of two-dimensional (2D) NiCo-MOF...
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