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Instruments / Technical Area	Publication Details	Published
I19-Small Molecule Single Crystal Diffraction	Selective adsorption of polycyclic aromatic hydrocarbons by isostructural hydrogen-bonded organic frameworks Peng Cui , Qiang Zhu , Fangfang Zhang , Dongni Liu , Wenshuai Zhu Chemical Communications 466 DOI: 10.1039/D3CC03131D Diamond Proposal Number(s): [21726] Open Access Show Abstract ▼ Abstract: Two isostructural hydrogen-bonded organic frameworks (HOFs) with 1-D hexagonal-shaped pores were crystallised using the molecules biphenyl-3,3′,5,5′-tetracarboxylic acid (BPTCA) and [1,1′:4′,1′′]terphenyl- 3,3′′,5,5′′-tetracarboxylic acid (TPTCA). The desolvated HOFs, named BPTCA-2 and TPTCA-2, exhibited selective adsorption towards naphthalene and anthracene, respectively, during competitive adsorption experiments.	Sep 2023
I11-High Resolution Powder Diffraction I19-Small Molecule Single Crystal Diffraction	Organic cage inclusion crystals exhibiting guest-enhanced multiphoton harvesting Guo-Hong Ning , Peng Cui , Igor V. Sazanovich , James T. Pegg , Qiang Zhu , Zhongfu Pang , Rong-Jia Wei , Mike Towrie , Kim E. Jelfs , Marc A. Little , Andrew I. Cooper Chem 99 DOI: 10.1016/j.chempr.2021.09.016 Diamond Proposal Number(s): [21726, 17193] Show Abstract ▼ Abstract: Host-guest complexation is an important supramolecular route to materials. Clear design rules have been developed for complexation in solution. This has proved more challenging for solid-state host-guest co-crystals because they often exhibit polymorphism, leading many researchers to focus instead on bonded frameworks, such as metal-organic frameworks. Here, we report an anthracene-based organic cage (1) that forms isoskeletal host-guest co-crystals with five similarly sized solid organic guests. The co-crystals were designed using inexpensive computational methods to identify appropriate guests that have packing coefficients (PCs) ranging from 44% to 50%, coupled with consideration of the guest shape. By complexing highly emissive BODIPY guests into the host structure, we enhanced its two-photon excited photoluminescent properties by a factor of six. Our crystal design approach was also transferrable to hard-to-design ternary organic crystals that were accessed by inserting specific guests into different sized voids in the host.	Oct 2021
I15-1-X-ray Pair Distribution Function (XPDF)	One‐dimensional π–d conjugated coordination polymer for electrochromic energy storage device with exceptionally high performance Guofa Cai , Peng Cui , Wenxiong Shi , Samuel Morris , Shi Nee Lou , Jingwei Chen , Jing‐hao Ciou , Vinod K Paidi , Kug‐seung Lee , Shuzhou Li , Pooi See Lee Advanced Science DOI: 10.1002/advs.201903109 Diamond Proposal Number(s): [21425] Open Access Show Abstract ▼ Abstract: The rational design of previously unidentified materials that could realize excellent electrochemical‐controlled optical and charge storage properties simultaneously, are especially desirable and useful for fabricating smart multifunctional devices. Here, a facile synthesis of a 1D π–d conjugated coordination polymer (Ni‐BTA) is reported, consisting of metal (Ni)‐containing nodes and organic linkers (1,2,4,5‐benzenetetramine), which could be easily grown on various substrates via a scalable chemical bath deposition method. The resulting Ni‐BTA film exhibits superior performances for both electrochromic and energy storage functions, such as large optical modulation (61.3%), high coloration efficiency (223.6 cm2 C−1), and high gravimetric capacity (168.1 mAh g−1). In particular, the Ni‐BTA film can maintain its electrochemical recharge‐ability and electrochromic properties even after 10 000 electrochemical cycles demonstrating excellent durability. Moreover, a smart energy storage indicator is demonstrated in which the energy storage states can be visually recognized in real time. The excellent electrochromic and charge storage performances of Ni‐BTA films present a great promise for Ni‐BTA nanowires to be used as practical electrode materials in various applications such as electrochromic devices, energy storage cells, and multifunctional smart windows.	Sep 2020

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