Weizhao Cai

ORCID: 0000-0001-7805-2108
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Research Areas
  • Crystallization and Solubility Studies
  • X-ray Diffraction in Crystallography
  • Crystallography and molecular interactions
  • Rare-earth and actinide compounds
  • High-pressure geophysics and materials
  • Iron-based superconductors research
  • Solid-state spectroscopy and crystallography
  • Perovskite Materials and Applications
  • Seismic Imaging and Inversion Techniques
  • Chemical Thermodynamics and Molecular Structure
  • Thermal Expansion and Ionic Conductivity
  • Seismic Waves and Analysis
  • Inorganic Chemistry and Materials
  • Advanced Chemical Physics Studies
  • Silicone and Siloxane Chemistry
  • Magnetism in coordination complexes
  • Luminescence and Fluorescent Materials
  • Chalcogenide Semiconductor Thin Films
  • Luminescence Properties of Advanced Materials
  • Molecular spectroscopy and chirality
  • Organic and Molecular Conductors Research
  • Hydraulic Fracturing and Reservoir Analysis
  • Reservoir Engineering and Simulation Methods
  • Photochemistry and Electron Transfer Studies
  • Electronic and Structural Properties of Oxides

University of Electronic Science and Technology of China
2022-2025

University of Utah
1993-2025

Huzhou University
2024-2025

Adam Mickiewicz University in Poznań
2011-2020

Salt Lake Regional Medical Center
2018

Tianjin University of Technology
2012

Chinese Academy of Sciences
2008-2011

Fujian Institute of Research on the Structure of Matter
2008-2011

A soft porous material [Zn(L)2(OH)2]n·Guest (where L is 4-(1H-naphtho[2,3-d]imidazol-1-yl)benzoate, and Guest water or methanol) exhibits the strongest ever observed negative area compressibility (NAC), an extremely rare property, as at hydrostatic pressure most materials shrink in all directions few expand one direction. This first NAC reported metal–organic frameworks (MOFs), its magnitude, clearly visible by far highest of known materials, can be reversibly tuned exchanging guests...

10.1021/jacs.5b03280 article EN publisher-specific-oa Journal of the American Chemical Society 2015-05-06

Organic–inorganic metal halides (OIMHs) can show diverse optical properties under pressure since their emission pathways be facilely manipulated through hydrostatic compression. However, pressure-induced phase transitions and irreversibility disrupt the linear tuning of pressure-dependent properties, thereby hampering applications in sensing. To improve structural stability, we introduced O–H···Br interactions synthesized a zero-dimensional (0D) manganese-based (Mn-based) OIMH,...

10.1021/acs.chemmater.4c00305 article EN Chemistry of Materials 2024-04-01

A 2D OIHP, (CHA) 2 PbBr 4 , exhibits significant pressure-induced emission enhancement at 2.0 GPa. The luminescence color of the crystal changes from yellow to white under pressure.

10.1039/d3tc04393b article EN Journal of Materials Chemistry C 2024-01-01

The crystal structure of elements at zero pressure and temperature is the most fundamental information in condensed matter physics. For decades it has been believed that lithium, simplest metallic element, a complicated ground-state structure. Using synchrotron x-ray diffraction diamond anvil cells multiscale simulations with density functional theory molecular dynamics, we show previously accepted martensitic ground state metastable. actual face-centered cubic (fcc). We find isotopes under...

10.1126/science.aal4886 article EN Science 2017-06-23

We report synchrotron X-ray diffraction, photoconductivity, and photoluminescence investigations of methylammonium-lead-bromide (MAPbBr3) under various stress conditions, supported by density-functional-theory (DFT) calculations. The properties MAPbBr3 show substantial dependence on the hydrostatic conditions. While nonhydrostatic compression leads to amorphization above 2.4 GPa, quasi-hydrostatic (Ar) (He) pressure, sample remains in crystalline phases. A sequence phase transitions between...

10.1021/acs.jpclett.7b01367 article EN publisher-specific-oa The Journal of Physical Chemistry Letters 2017-07-10

Here we study the Jahn-Teller (JT) effect on framework flexibility of two analogous hybrid organic-inorganic perovskites, [C(NH2)3][Zn(HCOO)3] (1-Zn) and [C(NH2)3][Cu(HCOO)3] (2-Cu). Single-crystal nanoindentation measurements show that elastic moduli hardnesses 1-Zn are up to ∼52.0% ∼25.0% greater than those JT active 2-Cu. Temperature-dependent X-ray diffraction indicate thermal expansion along b-axis is switched from negative positive by replacing Zn2+ with Cu2+ B-site. These stark...

10.1021/acs.jpclett.7b03229 article EN The Journal of Physical Chemistry Letters 2018-01-23

Recently, the Ruddlesden-Popper bilayer nickelate La3Ni2O7 has been discovered as a high temperature superconductor with Tc near 80 K above 14 GPa.[1-3] The search for superconductors higher Tc, preparation of high-quality single crystals, and removal high-pressure conditions including crystal growth under gas pressure achievement superconductivity pressure, are most challenging tasks. Here, we present ambient flux crystals up to 91 pressure. Single La3-xRxNi2O7-y dimensions 220 um on edge...

10.48550/arxiv.2501.14584 preprint EN arXiv (Cornell University) 2025-01-24

Low-dimensional materials with charge density waves (CDW) are attractive for their potential to exhibit superconductivity and nontrivial topological electronic features. Here we report the two-dimensional (2D) chalcogenide, BaSbTe2S which acts as a new platform hosting these phenomena. The crystal structure of is composed alternating atomically thin Te square-net layers double rock-salt type [(SbTeS)2]2- slabs separated Ba2+ atoms. Due instability square net, an incommensurately modulated...

10.1021/jacs.4c16505 article EN Journal of the American Chemical Society 2025-02-11

The coordination compound copper(II) acetylacetonate, [Cu(acac)2], exhibits remarkable elastic flexibility due to the reversible rotation of molecules when crystal is twisted or bent without loss its crystallinity. effects external stimuli, including heat and strain, have been intensively studied on this material, but mechanical response pressure has not yet reported. Using high-pressure single-crystal X-ray diffraction method, we show herringbone-type [Cu(acac)2] demonstrates structural...

10.1021/acs.cgd.4c01493 article EN Crystal Growth & Design 2025-02-13

Although the unique structure of helicenes resembles molecular springs, effects their extension-contraction cycles on properties have rarely been explored. Here, we investigated fluorescence two π-extended [n]helicenes with different helical lengths n, named [7] and [9], under high pressures in a diamond anvil cell. The experimental results showed that compound longer length, exhibited more sensitive response than both crystalline solvated states upon compression. Theoretical calculations...

10.1002/anie.202500923 article EN cc-by Angewandte Chemie International Edition 2025-03-10

Although the unique structure of helicenes resembles molecular springs, effects their extension–contraction cycles on properties have rarely been explored. Here, we investigated fluorescence two π‐extended [n]helicenes with different helical lengths n, named [7] and [9], under high pressures in a diamond anvil cell. The experimental results showed that compound longer length, exhibited more sensitive response than both crystalline solvated states upon compression. Theoretical calculations...

10.1002/ange.202500923 article EN cc-by Angewandte Chemie 2025-03-10

Controllable strategies for the design of molecular ferroelectrics have been actively pursued in recent years due to their promising applications modern electronic devices. In this work, we present a spiro‐driven approach new class ferroelectrics. Using 2‐morpholinoethanol (MEO) as bidentate chelating ligand and SCN− anion bridging co‐ligand, obtained neutral chain‐like ferroelectric coordination polymer, [Cd(MEO)(SCN)2]. Interestingly, it undergoes both thermal‐induced phase transition,...

10.1002/ange.202500027 article EN Angewandte Chemie 2025-03-11

Controllable strategies for the design of molecular ferroelectrics have been actively pursued in recent years due to their promising applications modern electronic devices. In this work, we present a spiro‐driven approach new class ferroelectrics. Using 2‐morpholinoethanol (MEO) as bidentate chelating ligand and SCN− anion bridging co‐ligand, obtained neutral chain‐like ferroelectric coordination polymer, [Cd(MEO)(SCN)2]. Interestingly, it undergoes both thermal‐induced phase transition,...

10.1002/anie.202500027 article EN Angewandte Chemie International Edition 2025-03-11

At normal conditions, mandelic acid (MA) is exempt from Wallach's rule, as enantiomers l-MA and d-MA are denser than racemate dl-MA. However, the less compressible racemate, dl-MA, which additionally anomalously compressed at phase transition 0.65 GPa becomes more dense enantiomers. Our results exclude possibility of resolving racemic dl-MA into due to their higher density in a spontaneous crystallization induced by pressure up 2.6 least. Also, crystal undergoes an isostructural 1.52 GPa,...

10.1021/jp411738p article EN publisher-specific-oa The Journal of Physical Chemistry C 2014-01-28

Very few materials expand two-dimensionally under pressure, and this extremely rare phenomenon, namely negative area compressibility (NAC), is highly desirable for technological applications in pressure sensors actuators. Hitherto, the known NAC have dominantly been limited to 2D crystals bonded via coordination interactions while other systems not explored yet. Here, we report large of a hydrogen-bonded supramolecular complex, Zn(CH3COO)2·2H2O, with synergistic microscopic mechanism. Our...

10.1039/c8sc03291b article EN cc-by-nc Chemical Science 2018-12-04

The search for new halide perovskites has recently expanded to the double A2M+M3+X6, which form in 3D elpasolite structure with alternating M+ and M3+ octahedra. Here, we report ternary mixed-valent indium compounds CsInX3 (X = Br, Cl). They adopt a tetragonal (space group I4/m) structure, is derivative of charge-ordered perovskite but twisted chain octahedra along c-axis. This twist result off-centering at In+ site accommodate its stereochemically active 5s2 lone pair, induces 45° rotation...

10.1021/acs.chemmater.9b04095 article EN Chemistry of Materials 2019-10-10

Abstract Ferroelectricity is typically suppressed under hydrostatic compression because the short-range repulsions, which favor nonpolar phase, increase more rapidly than long-range interactions, prefer ferroelectric phase. Here, based on single-crystal X-ray diffraction and density-functional theory, we provide evidence of a ferroelectric-like transition from phase I 2 1 3 to R induced by pressure in two isostructural defect antiperovskites Hg Te Cl (15.5 GPa) Br (17.5 GPa)....

10.1038/s41467-021-21836-7 article EN cc-by Nature Communications 2021-03-08

High-pressure structures of benzoic acid, C6H5COOH, reveals the interplay proton disorder in O–H⋯O hydrogen bonds, molecular orientation and O⋯O distance. The acid have been determined by single crystal X-ray diffraction up to 2.21 GPa at 296 K. initial ordering H atoms bonds dimers is reversed above 0.30 GPa. These opposite effects are due H-stabilization enhanced interactions molecule asymmetric environment, compressed distance, lowering potential energy barrier for H-hopping,...

10.1039/c2ce25128k article EN CrystEngComm 2012-01-01

Mandelic acid, C6H5CHOHCOOH, (MA) is one of frequent exempts from the Wallach's rule, as its racemate DL-MA less dense than enantiomers. This relation appears to be unfavorable for stability at high pressure; however, remains more stable conglomerate enantiomers up 1.36 GPa least. The isochoric crystallization yields orthorhombic form I, space group Pbca, and above 0.65 GPa, another centrosymmetric polymorph monoclinic II, P21/c, becomes stable. Their structures have been determined by X-ray...

10.1021/jp401626a article EN The Journal of Physical Chemistry C 2013-03-19

The high-pressure phase IV of potassium dihydrogen phosphate (KH2PO4, KDP) has been determined at 1.62 GPa/296 K. It is monoclinic, space group P21/c, Z = 12, and on decompression transforms into monoclinic I. interplay OH⋯O bonding networks K+ coordination types leads to an exceptionally large number KDP polymorphs, least 13 according the literature.

10.1039/c2dt32131a article EN Dalton Transactions 2012-11-01

The organic nonlinear optical crystal, 3-methyl-4-nitropyridine N-oxide (POM), exhibits a negative-linear-compressibility (NLC) region as well exceptionally large positive thermal expansion. High-pressure single crystal X-ray diffraction measurements have revealed an anomalous reversal of NLC at 0.12 GPa, induced by the collapse CH⋯O bonded supramolecular framework and subtle rotations nitro group. initial compression weak network in molecular POM is analogous to hydrostatic responses...

10.1039/c4tc00654b article EN cc-by-nc Journal of Materials Chemistry C 2014-06-19

Significance Metals often take on simple close-packed structures. For what is arguably the simplest metal, lithium, there has been a controversy as to its low-temperature equilibrium structure, with certain 9R , long suggested. We propose way get further information about structure when most useful crystallographic methods are for one or another reason not applicable. This measure oscillations of crystal magnetic moment material, de Haas–van Alphen effect. The resulting spectrum resonances...

10.1073/pnas.1701994114 article EN Proceedings of the National Academy of Sciences 2017-05-10
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