Article
Materials Science, Multidisciplinary
J. Kaczkowski, M. Pugaczowa-Michalska, I. Plowas-Korus
Summary: In this study, the formation mechanism of B-site cation ordering in double perovskite compounds was investigated using density functional theory. It was found that the ionic radius may play a major role in the non-magnetic Bi-based double perovskites, while the interactions between Fe cations may stabilize the ordering in the magnetic Bi2MFeO6.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Zheming Liu, Juliette Zito, Michele Ghini, Luca Goldoni, Mirko Prato, Houman Bahmani Jalali, Ivan Infante, Luca De Trizio, Liberato Manna
Summary: This study demonstrates how to enhance the photoluminescence quantum yield (PLQY) of yellow-emissive Bi-doped Cs2Ag1-xNaxInCl6 double perovskite nanocrystals (NCs). By preventing the formation of Ag0 particles and partially replacing Na+ with K+ ions, the PLQY of the NCs can be increased. This work further reveals the parameters influencing carrier trapping/relaxation and provides a strategy to improve the PL efficiency of double perovskite NCs.
Article
Chemistry, Multidisciplinary
Guangrong Jin, Tanghao Liu, Yuanzhao Li, Jiadong Zhou, Dengliang Zhang, Peiyuan Pang, Ziqing Ye, Zhaohui Xing, Guichuang Xing, Jiangshan Chen, Dongge Ma
Summary: Quasi-2D metal halide perovskites show reduced nonradiative losses by adjusting low-dimensional phase components and trap state density, leading to high photoluminescence quantum yield and improved crystal orientation, enabling high-performance green LEDs and low-threshold ASE.
Article
Chemistry, Multidisciplinary
Hehe Huang, Xuliang Zhang, Chenyu Zhao, Jianyu Yuan
Summary: In this study, a hybrid strategy using the conjugated polyelectrolyte PFN-Br and all-inorganic CsPbI3 perovskite quantum dots (QDs) is reported. By passivating the surface of CsPbI3 QDs with hydrophobic PFN-Br, the defect states and migration of halide ions can be reduced, leading to improved stability and a champion efficiency of 15.07% for the hybrid PFN-Br/CsPbI3 QD solar cell.
MATERIALS CHEMISTRY FRONTIERS
(2023)
Article
Spectroscopy
Supriya Ghosh, Debkumar Rana, Bapi Pradhan, Patrice Donfack, Johan Hofkens, Arnulf Materny
Summary: Metal halide-based perovskite semiconductors have excellent optoelectronic properties, with mixed compositions leading to structural changes and influencing electronic properties. By using Raman spectroscopy and density functional theory (DFT), we systematically investigated the vibrational features of lead bromide-based perovskites, finding a clear correlation between Raman band wavenumbers and the choice of cations.
JOURNAL OF RAMAN SPECTROSCOPY
(2021)
Article
Chemistry, Physical
Tomoyasu Yokoyama, Satoru Ohuchi, Taisuke Matsui, Yukihiro Kaneko, Takao Sasagawa
Summary: This study successfully reduced the computational cost for evaluating the properties of OIHMs by combining DFT with 3D-RISM. By treating the MA cation as a pseudoliquid, the distribution of the MA cation experimentally observed at a finite temperature was successfully reproduced, and the thermal expansion coefficient and temperature dependence of the band gap of MAPbI(3) were predicted accurately.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Energy & Fuels
R- Biega, L. Leppert
Summary: The migration of halogen vacancies in lead-halide perovskites can be facilitated by surfaces, with soft structures allowing for greater bond length variations. Surface modification with alkali halide monolayers can increase migration barriers, correlating with lattice mismatch between the perovskite surface and the monolayer. Suppressing this undesirable process can be achieved through passivation with alkali halide salts.
JOURNAL OF PHYSICS-ENERGY
(2021)
Article
Chemistry, Physical
R. Sundheep, Ankit Jain
Summary: In this study, density functional theory calculations are used to investigate the effect of interfacial defects on the stability and electronic properties of perovskite heterojunctions. The results reveal that interstitial Pb/Sn defects lead to the formation of dimer bonds, while halide vacancy defects enhance the interaction between neighboring cations.
SURFACES AND INTERFACES
(2022)
Article
Materials Science, Multidisciplinary
Yang Zhou, Tengyue He, Peng Yuan, Jun Yin, Shulin Chen, Luis Gutierrez-Arzaluz, Lijie Wang, Osman M. Bakr, Omar F. Mohammed
Summary: Copper halide clusters have garnered attention in light-emitting diodes and optical sensors due to their unique physicochemical properties and diverse chemical structures. Recently, they have also been explored as promising scintillation materials because of their large absorption cross section for X-ray radiation. However, research on copper halide cluster scintillators is still in its early stages and their performance lags behind that of perovskite and its related metal halide structures.
ACS MATERIALS LETTERS
(2023)
Article
Chemistry, Physical
Jifeng Yuan, Jianjun Tian
Summary: Researchers have developed an in-situ ligand exchange strategy to improve the surface chemistry of CsPbI3 quantum dots, resulting in higher power conversion efficiency and long-term durability.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Physics, Applied
Honghao Li, Qiang Ai, Yao Li, Xiaokun Zhai, Tong Liu, Yuan Ren, Tingge Gao
Summary: This study observes the XY splitting of localized polaritons in a CsPbBr3 microcavity due to the anisotropy of the perovskite material and polariton condensation onto horizontally and vertically linear polarized modes. Additionally, the refractive index of the microcavity can be modified by filling liquid crystal molecules into the cavity layer, enabling the modification of XY splitting of localized polaritons.
APPLIED PHYSICS LETTERS
(2022)
Article
Chemistry, Inorganic & Nuclear
Rafikul Ali Saha, Anita Halder, Desheng Fu, Mitsuru Itoh, Tanusri Saha-Dasgupta, Sugata Ray
Summary: This paper presents a comparative study of two langasite compounds, highlighting the development of room temperature ferroelectricity in Pb3TeCo3P2O14 due to the presence of a stereochemically active lone pair, while Ba3TeCo3P2O14 remains nonpolar. The study uncovers the structural distortion and polarization mechanism behind the ferroelectric behavior in Pb3TeCo3P2O14.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Physical
Henry I. Eya, Nelson Y. Dzade
Summary: Chalcogenide perovskites have emerged as promising alternatives to conventional hybrid organic-inorganic halide perovskites due to their thermal and chemical stability. In this study, we used density functional theory to characterize the properties of BaZrS3, one of the most promising chalcogenide perovskites. We found that BaZrS3 has desirable characteristics for efficient photovoltaic applications, including a direct bandgap, high absorption coefficient, low reflectivity, and low refractive index.
ACS APPLIED ENERGY MATERIALS
(2023)
Article
Chemistry, Physical
Dezhang Chen, Pui Kei Ko, C-H Angus Li, Bosen Zou, Pai Geng, Liang Guo, Jonathan E. Halpert
Summary: In this study, a ligand-exchange method using amino acids was developed to reduce long chain ligands on CsPbI3 quantum dots (QDs) and improve the efficiency and stability of resulting LEDs. The performance of the LEDs was assessed with different amino acids, and it was found that cysteine-passivated QDs showed the best performance with a dual-passivation effect.
ACS ENERGY LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Christopher Cueto, Weiguo Hu, Alexander Ribbe, Kimberly Bolduc, Todd Emrick
Summary: This study demonstrates a method for color-shifting of cesium lead halide perovskite nanocrystals using a macromolecular source of halide ions. The introduction of new halides to the nanocrystals results in perovskite-polymer hybrid materials that can be obtained as solutions, thin films, or free-flowing powders. Spectroscopic measurements show high photoluminescence quantum yields across the visible spectrum, and the exchange kinetics can be tuned based on the solution environment, allowing for the generation of multi-colored solutions and films.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Multidisciplinary
Yu Lu, Kang Huang, Xun Cao, Liyin Zhang, Tian Wang, Dongdong Peng, Bowei Zhang, Zheng Liu, Junsheng Wu, Yong Zhang, Chunjin Chen, Yizhong Huang
Summary: This study reports a significant strategy for the rapid synthesis of high-entropy alloys (HEAs) by pulsed laser irradiation. Two types of intrinsic atomic hollow sites over the surface of HEAs are revealed that enable engaging bifunctional activities for water splitting. This work delivers a powerful technique to synthesize highly efficient HEA catalysts and unravels the formation mechanism of active sites across the surface of HEA catalysts.
ADVANCED FUNCTIONAL MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Xiaoye Chen, Ming Lin, Jian Feng Kong, Hui Ru Tan, Anthony K. C. Tan, Soong-Geun Je, Hang Khume Tan, Khoong Hong Khoo, Mi-Young Im, Anjan Soumyanarayanan
Summary: This study unveils the evolution of chiral spin texture characteristics on a tunable multilayer platform using electron and X-ray microscopies as well as numerical simulations. It establishes a comprehensive microscopic framework for investigating and tailoring chiral spin texture character in multilayer films.
Article
Engineering, Mechanical
Milad Ghaemi, Mehdi Jafary-Zadeh, Khoong Hong Khoo, Huajian Gao
Summary: Chemical short-range order (CSRO) is an important index for material properties of multicomponent metallic alloys and glasses. Molecular dynamics simulations show that the fracture mode of a metallic glass can be altered from crack propagation to shear banding by tuning CSRO.
EXTREME MECHANICS LETTERS
(2022)
Article
Chemistry, Multidisciplinary
Junfu Leng, Tian Wang, Zhi-Kuang Tan, Ya-Ju Lee, Chun-Chieh Chang, Kaoru Tamada
Summary: The advent of lead halide perovskite nanocrystals has greatly changed the future of semiconductor quantum dot devices. This study proposes two synthesis pathways for pure-halide perovskite NCs, enabling the efficient production of high-quality perovskite NCs and precise tuning of the emission color.
Article
Chemistry, Analytical
Xin Yang, Justin Lee Kee Leong, Mingtai Sun, Linzhi Jing, Yuannian Zhang, Tian Wang, Suhua Wang, Dejian Huang
Summary: We designed a smartphone-based optical fiber sensor for rapid and portable detection of ethylene in commercial fruit ripening storage rooms. The sensor showed a wide linearity range with a low detection limit, and was not significantly affected by common gases in the warehouse. The device is compact and portable, with an inbuilt power supply and replaceable sensor tip.
Article
Materials Science, Multidisciplinary
Su Yang, Meiling Wang, Yong Zhang, Pinyi He, Wenhua Cong, Chongji Wang, Qiankun Yang, Xuguang Liu, Tian Wang, Xianming Zhang, Jiadong Zhou
Summary: The precise confinement of single POM molecules in a porous carbon material enables enhanced redox activity and electron-accepting properties. The size of the super-micropore in the carbon material affects the redox activities and electron-accepting properties of the confined POM molecules. The confined POM molecules exhibit high negative-potential stability and multiple-peak redox activity at low loading. The resulting solid-state supercapacitor achieves remarkable areal capacitance, ultrahigh energy, and power density.
ENERGY & ENVIRONMENTAL MATERIALS
(2023)
Article
Chemistry, Physical
Yida Xu, Deming Meng, Liwen Wang, Hua Yang, Xuefeng Guo, Yan Zhu, Tian Wang, Weiping Ding
Summary: This study reports the highly controllable effect of N-doped carbon support containing atomic copper sites on platinum nanoparticles in heterogeneous catalysis, achieving high electrocatalytic activity for hydrogen evolution reaction. Experimental and theoretical investigations suggest that the existence of atomic Cu-N-x sites contributes subtle changes to the interaction way between Pt and the support, resulting in efficient catalysis.
APPLIED SURFACE SCIENCE
(2022)
Article
Chemistry, Multidisciplinary
Yuita Fujisawa, Markel Pardo-Almanza, Chia-Hsiu Hsu, Atwa Mohamed, Kohei Yamagami, Anjana Krishnadas, Guoqing Chang, Feng-Chuan Chuang, Khoong Hong Khoo, Jiadong Zang, Anjan Soumyanarayanan, Yoshinori Okada
Summary: Through systematic investigation of epitaxial Cr1+delta Te2 thin films, it is revealed that this magnetic transition metal dichalcogenide exhibits momentum-space Berry curvature effects conducive to spin-based topological phenomena, and its electron filling can be tuned through doping. Spectroscopic experiments and transport experiments demonstrate the presence of a characteristic semi-metallic band region and the change in the intrinsic component of the anomalous Hall effect, respectively. Density functional theory calculations establish a link between the doping evolution of the band structure and the anomalous Hall effect.
ADVANCED MATERIALS
(2023)
Article
Polymer Science
Ying Leng, Kai Jin, Tian Wang, Hui Sun
Summary: A facile preparation strategy is proposed to prepare nitrogen-doped carbon sponge loaded with fine cobalt nanoparticles by the direct pyrolysis of the cobalt ions adsorbed polymeric precursor. The resulting Co/CoO@NCS exhibits promising catalytic activity toward oxygen reduction reaction, making it a potential candidate for efficient electrocatalysis.
Article
Chemistry, Physical
Xingtao Wang, Jiangshan Zhao, Yongwang Li, Xubin Zhang, Fumin Wang, Botao Wu, Tian Wang
Summary: Pincer ligand supported Ru-II chloride complexes can be used as non-mercury molecular catalysts for acetylene hydrochlorination. The catalytic mechanism and interaction between catalysts and reactants have been evaluated, indicating that the (pincer)(RuCl2)-Cl-II platform supports electrophilic proton-ruthenation of C2H2. Energy decomposition studies reveal the electron-rich property of the Ru-II center, leading to lower energetic barriers and favoring the electrophilic reaction mechanism. Improving the electron-donating ability of ligands can enhance the lowering of energetic barriers, enabling the design of non-mercury catalysts with milder reaction conditions and higher catalytic activity for acetylene hydrochlorination.
Article
Chemistry, Multidisciplinary
Li Jun Lim, Xiaofei Zhao, Zhi-Kuang Tan
Summary: This work presents a facile synthesis method for near-infrared (NIR) emitting CuInS2/ZnS quantum dots (QDs). By using two sulfur precursors, 1-dodecanethiol (DDT) and hexamethyldisilathiane (HMDS), the reactive HMDS promotes faster nucleation and leads to a higher density of Cu-deficiency sites, resulting in QDs with high photoluminescence quantum efficiency (PLQE) of 65% at a long emission wavelength of 920 nm. NIR light-emitting diodes (LED) fabricated using these QDs achieve an external quantum efficiency (EQE) of 8.2%, comparable to the best reported PbS and InAs QD LEDs, and with an emission wavelength surpassing that of lead iodide perovskites. This work represents one of the first efficient NIR LEDs based on environmentally benign CuInS2 QDs, potentially enabling promising new applications in consumer electronic products.
ADVANCED MATERIALS
(2023)
Article
Biochemistry & Molecular Biology
Ying Leng, Kai Jin, Tian Wang, Xiaoyong Lai, Hui Sun
Summary: A novel sponge-like polymer-based absorbent (poly(amic acid), PAA sponge) was prepared using a straightforward polymer self-assembly strategy for the efficient removal of lead (II) (Pb(II)) from water. The PAA sponge exhibited a rapid adsorption process with a removal efficiency of up to 89.0% in 2 minutes. The adsorption capacity of the PAA sponge increased with the concentration of Pb(II), reaching a maximum adsorption capacity of 609.7 mg g(-1) according to Langmuir simulation fitting. Additionally, the PAA sponge showed efficient recyclability with a removal efficiency of Pb(II) as high as 93% after five adsorption-desorption cycles.
Article
Chemistry, Multidisciplinary
Kang Huang, Jiuyang Xia, Yu Lu, Bowei Zhang, Wencong Shi, Xun Cao, Xinyue Zhang, Lilia M. Woods, Changcun Han, Chunjin Chen, Tian Wang, Junsheng Wu, Yizhong Huang
Summary: High catalytic efficiency and long-term stability are crucial for the performance of an electrocatalyst. This study focuses on the correlation between stability and catalytic efficiency in the FeCoNiRu high-entropy alloy (HEA). The HEA catalyst not only shows high efficiency in the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER), but also maintains long-term stability. The outstanding stability is attributed to the spinel oxide surface layer formed during the evolution reactions, which preserves the active sites inherited from the HEA's intrinsic structure. This work provides valuable insights for the design and manufacturing of other metallic electrocatalysts and serves as a benchmark for evaluating their efficiency-stability relationship.
Article
Materials Science, Multidisciplinary
Baisheng Zhu, Tian Wang, Zhi-Kuang Tan
Summary: This study reports a unique formation of quantum-confined perovskite through a one-step solution-casting process. The resulting thin films enable precise spectral tuning in pure-bromide and pure-iodide perovskite, giving high-purity blue and red luminescence, respectively.
JOURNAL OF MATERIALS CHEMISTRY C
(2022)