Article
Chemistry, Physical
Wangsheng Jiang, Ruiji Sun, Song Wang, Yue Yu, Lihong Qi, Kai Pan
Summary: In this study, the optical properties of Cs2NaBiCl6 nanocrystals were improved by ion doping, and the Cs2Na0.62K0.38BiCl6 nanocrystals showed a PLQY of 7.06%, which was 4.38 times higher than that of Cs2NaBiCl6 nanocrystals. Moreover, the introduction of potassium ions also enhanced the thermal stability of Cs2Na0.62K0.38BiCl6 nanocrystals.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Physical
Jutao Jiang, Guangming Niu, Laizhi Sui, Xiaowei Wang, Yutong Zhang, Li Che, Guorong Wu, Kaijun Yuan, Xueming Yang
Summary: By conducting high-pressure experiments and theoretical analysis, it was found that Cs2NaBiCl6 crystal exhibits dual-color emission under increased pressure. This dual-color emission is attributed to the structural changes in [BiCl6] (3-), providing important insights for research and applications.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Chemistry, Inorganic & Nuclear
Meng Zhao, Shengqiang Liu, Hao Cai, Fangyi Zhao, Zhen Song, Quanlin Liu
Summary: Efficient and tunable broadband near-infrared emissions have been realized by utilizing the compositional flexibility of antimonate double perovskites, with Ca2ScSbO6:Cr3+ exhibiting the highest internal quantum efficiency and thermal stability.
INORGANIC CHEMISTRY FRONTIERS
(2022)
Article
Materials Science, Multidisciplinary
M. Jeevaraj, S. Sudhahar, P. Devendran, N. Nallamuthu, Naidu Dhanpal Jayram, M. Krishna Kumar
Summary: This article focuses on the synthesis and analysis of Mn2+ doped lead-free halide double perovskites. The crystallinity, morphology, and elemental distribution of the microcrystals are studied using various techniques. The results show prominent emission from the doped double perovskites and electron density distribution analysis provides insights into their structural properties.
MATERIALS TODAY COMMUNICATIONS
(2022)
Article
Environmental Sciences
SP. Keerthana, R. Yuvakkumar, G. Ravi, Abdullah G. Al-Sehemi, Dhayalan Velauthapillai
Summary: Mn-TiO2 photocatalysts prepared by hydrothermal technique showed excellent performance in dye degradation. The dopant Mn ions played an important role in the morphology and activity of the photocatalysts.
Article
Materials Science, Multidisciplinary
Long Zhang, Zhengtao Liu, Xuening Sun, Guangming Niu, Jutao Jiang, Yuanyuan Fang, Defang Duan, Kai Wang, Laizhi Sui, Kaijun Yuan, Guorong Wu, Bo Zou
Summary: Pressure engineering can lead to novel optoelectronic properties in halide perovskite materials, as shown in this study on Mn-doped/undoped Cs2NaBiCl6. The compression-decompression cycles result in a largely retained bandgap narrowing and durable stability in ambient conditions. The pressure-induced emission enhancement of Mn2+ ions is attributed to increased energy transfer efficiency from Bi3+ ions, showing potential for new semiconductor materials with enhanced properties.
ADVANCED OPTICAL MATERIALS
(2022)
Article
Chemistry, Physical
Cai-Rong Zhang, Hong Chen, Zi-Jiang Liu, Mei-Ling Zhang, Wei Wang, You-Zhi Wu, Hong-Shan Chen
Summary: The study found that doping FA ions in Cs2AgBiBr6 crystals can stabilize optoelectronic properties, but it can also reduce exciton energies and charge carrier mobilities.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Muyu Cong, Qingkai Zhang, Bin Yang, Junsheng Chen, Jie Xiao, Daoyuan Zheng, Tiancheng Zheng, Ruiling Zhang, Guangyan Qing, Chunfeng Zhang, Ke-li Han
Summary: This study presents a design principle to enhance the photoluminescence of triplet excitons in all-inorganic lead-free double-perovskite nanocrystals. Experimental data show that this design approach results in bright green emission and efficient white-light emitting through energy transfer to dopants.
Article
Chemistry, Physical
Diana M. Arciniegas Jaimes, Valeria C. Fuertes, M. Cecilia Blanco, German Tirao, Silvina Limandri, Vivian M. Nassif, Gabriel J. Cuello, Alejandro Rodriguez, Edilso Reguera, Raul E. Carbonio
Summary: This study reports the synthesis, structural characterization, and magnetic properties of La3Mn2NbO9 double perovskite. The crystal structure shows a high degree of cation order and magnetization measurements reveal the presence of ferromagnetic and antiferromagnetic interactions at different temperatures.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Chemistry, Multidisciplinary
Heng Zhang, Elke Debroye, Shuai Fu, Miriam C. Rodriguez Gonzalez, Indy du Fosse, Jaco J. Geuchies, Lei Gao, Xiaoqing Yu, Arjan J. Houtepen, Steven De Feyter, Johan Hofkens, Mischa Bonn, Hai I. Wang
Summary: It is reported that hole-transfer processes dominate the ultrafast charge transfer across strongly coupled double-perovskite Cs2AgBiBr6/graphene (DP/Gr) heterostructures following optical excitation. The transfer direction and efficiency of the holes depend on the excitation wavelength. Low-energy excitation allows photoexcited hot holes in Gr to inject into in-gap defect states in DPs, while above-bandgap excitation reverses the hole-transfer direction, leading to hole transfer from the valence band of DPs to Gr. Increasing the excitation photon energy enhances the charge transfer efficiency, revealing the positive role of excess energy in interfacial charge transfer.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Physical
Zhengjie Zhu, Kaitian Mao, Kai Zhang, Wei Peng, Jieqi Zhang, Hongguang Meng, Shuang Cheng, Tieqiang Li, Hongzhen Lin, Qi Chen, Xiaojun Wu, Jixian Xu
Summary: By studying the different configurations and protonation states of amine groups in the PEI family, we discovered an in-situ protonation process that significantly reduces deep-level traps of minority carriers in p-i-n perovskite solar cells. This method can improve the power conversion efficiency of solar cells, and the cells showed no degradation in long-term testing.
Article
Materials Science, Multidisciplinary
Supriyo Majumder, Malvika Tripathi, H. E. Fischer, D. O. de Souza, L. Olivi, A. K. Sinha, R. J. Choudhary, D. M. Phase
Summary: The origin of magnetic ordering in the Sm2NiMnO6 (SNMO) double perovskite system was investigated on both local and global scales. Different calcination routes were used to generate different cation arrangements, and high-energy "hot neutrons" were employed to examine the corresponding magnetic configurations. The study found that the Ni-Mn sublattice had a long-range collinear ferromagnetic structure, regardless of variable ASD concentrations. The existence of antiparallel polarization of Sm paramagnetic moments with respect to the Ni-Mn network was also observed.
Article
Chemistry, Physical
Peng Huang, Adrian Hernandez, Samrana Kazim, Jorge Follana-Berna, Javier Ortiz, Luis Lezama, Angela Sastre-Santos, Shahzada Ahmad
Summary: In this study, innovative asymmetrically substituted metal phthalocyanines (MPcs) were designed and investigated, with ZnPcAE showing a longer diffusion length and higher power conversion efficiency in fabricated PSCs. Devices with MPcs also exhibited improved stability under multistress conditions.
ACS APPLIED ENERGY MATERIALS
(2021)
Article
Chemistry, Physical
Anthony J. Lloyd, Brett R. Hester, Samuel J. Baxter, Shangye Ma, Vitali B. Prakapenka, Sergey N. Tkachev, Changyong Park, Angus P. Wilkinson
Summary: Perovskites are important materials with technological and geological significance due to their compositional and structural flexibility. The introduction of helium into the structure leads to the formation of a new perovskite [He-2][CaZr]F-6, which shows reduced negative thermal expansion and considerable stiffening of the structure. This helium-containing perovskite exhibits a structural phase transition under compression, indicating potential for further research and applications.
CHEMISTRY OF MATERIALS
(2021)
Article
Materials Science, Ceramics
Priyanka Singh, Brajendra Singh, Mukul Gupta
Summary: This study investigated the positive magneto capacitance in La0.66Pb0.3Mn0.4Ti0.56O3 and negative magneto capacitance in La0.7Pb0.3Mn0.4Fe0.6O3 due to interactions of different valence states, with Fe-doped composition showing a significantly higher magnetic moment than Ti-doped composition.
CERAMICS INTERNATIONAL
(2022)
Article
Chemistry, Physical
W. Peter Kalisvaart, Madhusudan Chaudhary, Amit Bhattacharya, Vladimir K. Michaelis, Jillian M. Buriak
Summary: Antimony and bismuth are attractive candidates for replacing graphite in Li-ion battery anodes as they can alloy with lithium. The Li-Sb-Bi ternary system has been studied and ternary alloys with different Sb mole fractions were synthesized. These alloys exhibit cubic crystal structures but show a tendency towards phase segregation at certain mole fractions.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Physical
Riley W. Hooper, Chuyi Ni, Dylan G. Tkachuk, Yingjie He, Victor V. Terskikh, Jonathan G. C. Veinot, Vladimir K. Michaelis
Summary: This study investigates the effects of structural variations on the nuclear magnetic resonance (NMR) signatures of germanium halide perovskites. It demonstrates the value of a combined solid-state NMR and density functional theory (DFT) approach for studying promising materials for energy applications and provides important insights into the Ge-73 and Cs-133 nuclei.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Inorganic & Nuclear
Ellan K. Berdichevsky, Victoria A. Downing, Riley W. Hooper, Nathan W. Butt, Devon T. McGrath, Laurie J. Donnelly, Vladimir K. Michaelis, Michael J. Katz
Summary: Molecular sieving is an effective solution for environmental remediation. The synthesis and characterization of two metal-organic frameworks (MOFs) with ultramicropores suitable for molecular sieving are explored. The study reveals that subtle changes in the pore aperture of a framework can drastically affect its adsorption selectivity and separation selectivity.
INORGANIC CHEMISTRY
(2022)
Article
Nanoscience & Nanotechnology
Gleb Bobrov, Stephanie A. Kedzior, Syed Atif Pervez, Aleksandra Govedarica, Gabriele Kloker, Maximilian Fichtner, Vladimir K. Michaelis, Guy M. Bernard, Philipp M. Veelken, Florian Hausen, Milana Trifkovic
Summary: The distribution of TEMPO-oxidized cellulose nanofibrils (t-CNFs) in different molecular weights of poly(ethylene oxide) (PEO) and its effect on Li+ ion mobility, bulk conductivity, and long-term stability were investigated. The results showed that in a low-MW PEO system, t-CNFs were incorporated between lamellas, while their nuclei remained particle-free. In a high-MW PEO system, the growth of t-CNFs was arrested due to the strong t-CNF network surrounding them. This study provides insights for the design of robust all-solid-state Li-metal batteries.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Inorganic & Nuclear
Mohammed Jomaa, Vidyanshu Mishra, Dundappa Mumbaraddi, Ritobroto Sikdar, Diganta Sarkar, Mengran Sun, Jiyong Yao, Vladimir K. Michaelis, Arthur Mar
Summary: Complete substitution of Li atoms for Ag atoms was achieved in AgGaSe2 and AgInSe2, resulting in solid solutions LixAg1-xGaSe2 and LixAg1-xInSe2. The crystal structures were determined using single-crystal X-ray diffraction and Li-7 nuclear magnetic resonance spectroscopy, confirming unique sites for Li atoms. The structure of LixAg1-xGaSe2 retained the tetragonal CuFeS2-type structure, while LixAg1-xInSe2 transformed from tetragonal to orthorhombic as Li content increased. The optical band gaps increased gradually with higher Li content, enabling control to desired values.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Physical
Brayden Glockzin, Meagan S. Oakley, Abhoy Karmakar, Arkadii Pominov, Aaron A. Mitchell, Xiaochuan Ma, Mariusz Klobukowski, Vladimir K. Michaelis
Summary: This article investigates the structural characteristics and potential applications of metal-halide perovskites in devices such as solar cells and LED. Solid-state nuclear magnetic resonance (NMR) spectroscopy is used to study the influence of alkali metal and halogen substitutions on octahedral tilting and spin-orbit coupling in A2SnX6 materials. The results reveal the impact of octahedral tilting on A-site environments, as well as the normal halogen dependence observed in the B-site polyhedral environments.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Madhusudan Chaudhary, Abhoy Karmakar, Vidyanshu Mishra, Amit Bhattacharya, Dundappa Mumbaraddi, Arthur Mar, Vladimir K. Michaelis
Summary: This study investigates the effects of Bi substitution on the structure and properties of CsSnBr3. The results show that Bi substitution does not alter the cubic perovskite structure, but introduces disorder at the atomic level. Bi atoms randomly replace Sn atoms with no segregation. The absorption edge shifts from 1.8 eV to 1.2 eV, maintaining a direct band gap. Bi substitution improves degradation resistance by inhibiting Sn oxidation.
COMMUNICATIONS CHEMISTRY
(2023)
Article
Nanoscience & Nanotechnology
Fuwei Wen, Geng Xie, Ning Chen, Qichao Wu, Madhusudan Chaudhary, Xiang You, Vladimir K. Michaelis, Arthur Mar, Lingzi Sang
Summary: This study provides an in-depth analysis of the structural and morphological changes induced by ball milling in sodium thioantimonate (Na3SbS4) and its W-substituted analogue (Na2.88Sb0.88W0.12S4) electrolyte materials. The changes in structure and morphology were found to impact the electrochemical performance of the solid-state batteries.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Physical
Dundappa Mumbaraddi, Vidyanshu Mishra, Mohammed Jomaa, Xiaoyuan Liu, Abhoy Karmakar, Sambhavi Thirupurasanthiran, Vladimir K. Michaelis, Andrew P. Grosvenor, Alkiviathes Meldrum, Arthur Mar
Summary: The rare-earth chalcogenide iodides RE (3)(Ge1-x Si x )(2)S8I (RE = La, Ce,and Pr) and Ce3Si2(S1-y Se y )(8)I were synthesized successfully. Complete solid solutions and phase-pure samples were obtained for all series, with smooth evolution of cell parameters. The substitution of Si for Ge atoms in RE (3)(Ge1-x Si x )(2)S(8)I resulted in complete disorder of the tetrel atoms, while the substitution of Se for S atoms in Ce3Si2(S1-y Se y )(8)I occurred with preferential occupation of Se atoms. The optical band gaps increased slightly or negligibly upon the substitutions in RE (3)(Ge1-x Si x )(2)S8I and dramatically decreased from 2.8 to 1.9 eV in Ce3Si2(S1-y Se y )(8)I. The photoluminescence emission shifted slightly to blue-green or significantly to green upon the substitutions, depending on the concentrations of Ge or Se. The photoluminescence intensity and lifetime tended to decrease with increasing concentration of Ge or Se. The activation energy for thermal quenching in Ce3Si2S8I was determined to be 0.68 eV.
CHEMISTRY OF MATERIALS
(2023)
Article
Biochemical Research Methods
Riley W. Hooper, Katherine Lin, Jonathan G. C. Veinot, Vladimir K. Michaelis
Summary: Inorganic metal halides offer unique tunability through elemental variation, but their complex phase behavior, degradation, and microscopic phenomena pose challenges for their commercial applications. This study investigates the bromine chemical environment in inorganic lead bromide materials using solid-state nuclear magnetic resonance, nuclear quadrupole resonance, and quantum chemical computation. The quadrupole coupling constants of bromine were found to range from 61 to 114 MHz, with CsPbBr3 exhibiting the highest coupling constant. The combination of theory and experiment provides insights into expanding the methods to other quadrupolar halogens.
JOURNAL OF MAGNETIC RESONANCE
(2023)
Article
Materials Science, Multidisciplinary
Diganta Sarkar, Riley W. Hooper, Abhoy Karmakar, Amit Bhattacharya, Arkadii Pominov, Victor V. Terskikh, Vladimir K. Michaelis
Summary: With exceptional optoelectronic features, metal halide perovskites are driving the next wave of energy-related materials research. This study presents a rapid NMR strategy for analyzing chloride environments in these materials, providing insights into ion mixing, dimensionality, cell volume, and chloride coordinating polyhedra.
ACS MATERIALS LETTERS
(2022)
Article
Chemistry, Physical
Amit Bhattacharya, Vidyanshu Mishra, Dylan G. Tkachuk, Arthur Mar, Vladimir K. Michaelis
Summary: This study investigates the structure and properties of Cu2HgSnS4 using X-ray diffraction and solid-state NMR spectroscopy. It finds that Cu2ZnSnS4 has two inequivalent sets of Cu sites, while Cu2CdSnS4 and Cu2HgSnS4 have only one set of sites. The measured optical band gap results are consistent with the calculated values.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Materials Science, Multidisciplinary
Diganta Sarkar, Riley W. Hooper, Abhoy Karmakar, Amit Bhattacharya, Arkadii Pominov, Victor V. Terskikh, Vladimir K. Michaelis
Summary: This article presents a rapid nuclear magnetic resonance (NMR) strategy for analyzing local Cl chemical environments in metal halide perovskites. The strategy can reveal distinct features related to ion mixing, dimensionality, cell volume, and Cl coordinating polyhedra, and can be extended to other halogen-containing semiconductors.
ACS MATERIALS LETTERS
(2022)