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Crystals · 2021 ·Vol. 11 ·期 5 ·547 · IF 2.589

A Study of Interfacial Electronic Structure at the CuPc/CsPbI2Br Interface

Zengguang Tang,Liujiang Zhang,Zhenhuang Su,Zhen Wang,Li Chen,Chenyue Wang,Guoping Xiao,Xingyu Gao

In this article, CsPbI2Br perovskite thin films were spin-coated on FTO, on which CuPc was deposited by thermal evaporation. The electronic structure at the CsPbI2Br/CuPc interface was examined during the CuPc deposition by in situ X-ray photoelectron spectroscopy (XPS) and ultraviolet photoelectron spectroscopy (UPS) measurements. No downward band bending was resolved at the CsPbI2Br side, whereas there is ~0.23 eV upward band bending as well as a dipole of ~0.08 eV identified at the molecular side. Although the hole injection barrier as indicated by the energy gap from CsPbI2Br valance band maximum (VBM) to CuPc highest occupied molecular orbital (HOMO) was estimated to be ~0.26 eV, favoring hole extraction from CsPbI2Br to CuPc, the electron blocking barrier of ~0.04 eV as indicated by the offset between CsPbI2Br conduction band minimum (CBM) and CuPc lowest unoccupied molecular orbital (LUMO) is too small to efficiently block electron transfer. Therefore, the present experimental study implies that CuPc may not be a promising hole transport material for high-performance solar cells using CsPbI2Br as active layer.

研究领域: 材料科学 · 光伏器件 · 表面科学
✓ 已验证 DOI 高影响因子
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CERAMICS INTERNATIONAL · 2020 ·Vol. 46 ·期 10 ·16524-16532 · IF 3.83

Magnetic characteristics and optical band alignments of rare earth (Sm+3, Nd+3) doped garnet ferrite nanoparticles (NPs)

Muhammad Yousaf,Asma Noor,Shuai Xu,Majid Niaz Akhtar,Baoyuan Wang

Yttrium iron garnet (YIG) nanoparticles (NPs) doped with rare earth (RE) metal ions (Y 2.5 Sm 0.5 Fe 5 O 12 , Y 2.5 Nd 0.5 Fe 5 O 12 ) were successfully synthesized by sol-gel auto combustion approach. The cubic crystalline structure and morphology of the prepared garnet ferrite NPs were analyzed by X-ray diffractometer (XRD) and field emission scanning electron microscopy (FESEM). The cubic crystalline garnet phase of the synthesized YIG, Sm-YIG and Nd-YIG samples was successfully achieved at 950 °C sintering temperature . The force constant and absorption bands were estimated by using Fourier transform infrared spectroscopy (FTIR). The doping effect of RE metal ions on the chemical states of YIG were examined by x-ray photoelectron microscopy (XPS). The valence band (from 12.63 eV to 13.22 eV), conduction band (from 10.89 eV to 11.34 eV) edges and optical bandgap values of RE doped YIG samples were calculated using UV–Vis spectroscopy and ultraviolet photo electron spectroscopy (UPS). The magnetic analysis of the prepared NPs was studied using vibrating sample magnetometer (VSM). The XPS analysis of RE doped YIG samples exhibit the existence of RE (Sm +3 , Nd +3 ) contents on the surface of YIG ferrite by decreasing the oxygen lattice in garnet structure. The optical bandgap (from 1.74 eV to 1.88 eV) explains the semiconducting nature of the synthesized NPs. The UPS results confirm the valence band position of YIG doped samples. The saturation magnetization and remanence of RE doped garnet ferrite samples increased from 13.45 to 18.83 emu/g and 4.06–6.53 emu/g, respectively.

研究领域: 材料科学 · 纳米科技 · 固体物理 · 无机化学 · 功能材料
✓ 已验证 DOI 高影响因子
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DALTON TRANSACTIONS · 2024 ·Vol. 53 ·期 8 ·3722-3730 · IF 3.5

Separation of lead-212 from natural thorium solution utilizing novel sulfonamide dibenzo-18-crown-6

Shiquan Cao,Yujia Kang,Huiping Tang,Zhi Chen

The extraction of lead-212 (212Pb) from radioactive thorium (Th) waste is immensely important, as it serves to mitigate environmental risks associated with radioactive waste and provides a vital source for medical isotopes. To economically extract 212Pb from thorium, we synthesized a novel extractant known as 2,13-disulfonyldiethylamine dibenzo-18-crown-6 (DSADB18C6). We assessed its performance in isolating Pb(II) by employing stable lead and optimizing the parameters of the extraction system. The results showcased an exceptional ability to extract Pb(II) efficiently. Within 10 minutes, using 20 mmol of DSADB18C6 and under conditions of 10 mg L−1 lead concentration (HNO3 = 0.5 mol L−1), the extraction efficiency reached up to 96.1%. Even after four rounds of stripping with 0.4 mol L−1 ammonium citrate, the efficiency remained at 90.2%. Moreover, the extraction stoichiometry and thermodynamics revealed that DSADB18C6 exhibited superior extraction performance compared to the commercial extractant 4′,4′′,(5′′)-di-(tert-butyldicyclohexano)-18-crown-6 (DtBuDC18C6), in line with the density functional theory (DFT) calculation result. Furthermore, we successfully separated 212Pb from the thorium nitrate solution, maintaining radioactive equilibrium with its progeny. Gamma-spectroscopy confirmed a recovery yield of extraction exceeding 85.7%. This study presents a viable approach, underscoring the potential of DSADB18C6 as a promising extractant for the effective separation of 212Pb from radioactive thorium sources.

CAS / MDL: 109-89-7
研究领域: 放射化学 · 核医学 · 环境科学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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SCIENCE OF THE TOTAL ENVIRONMENT · 2025 · IF 8

Highly efficient removal of radioactive iodine from solution using in situ prepared Cu0@ACF adsorbent

Liang Jiang,Xiaojiang Chen,Jun Liao,Lielin Wang,Yuxin Zhang,Sha Yang,Qiuyi Wang,Yaoyao Tang,Congcong Ding

Rapid and efficient removal of radioactive iodine from nuclear accidents and effluent waste was significantly essential to protect the living environment and maintain human health. The nano-zero-valent copper modified activated carbon fiber (Cu 0 @ACF) composite was successfully synthesized via an in situ self-reduction method. The structural and chemical compositions of both pristine and iodine-adsorbed samples (ACF and Cu 0 @ACF) were systematically analyzed by X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS). The coexistence of carbon and copper was verified using energy dispersive spectroscopy (EDS). The effects of modifier concentration, contact time, pH value and interfering ions on the removal of I 2 and I − were comprehensively investigated through batch experiments. The adsorption capacity of 4 wt% Cu 0 @ACF for I 2 reached 980 mg/g (C 0  = 1000 mg/L, pH = 2), and for I − was 358 mg/g (C 0  = 400 mg/L, pH = 2), significantly outperforming other reported iodine adsorbents. The kinetic studies revealed that the adsorption processes followed pseudo-second-order kinetics, while isotherm data were best described by the Langmuir model (R 2  > 0.99), indicating monolayer chemisorption. The adsorption mechanism was dominated by chemical reactions where in iodide ions (I − ) interact with the metallic nano‑copper (Cu 0 ) anchored on the ACF surface, resulting in the formation of CuI characterized by polar covalent bonding. In a word, Cu 0 @ACF showed an outstanding potential for radioactive wastewater treatment applications and this work presents a facile strategy for developing high-performance ACF-based adsorbents.

研究领域: 环境科学 · 材料科学 · 核工程 · 化学工程 · 表面化学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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Nanoscale · 2020 ·Vol. 12 ·期 17 ·9727-9732 · IF 6.895

A solution-processed zero-dimensional all-inorganic perovskite scintillator for high resolution gamma-ray spectroscopy detection

Qiang Xu,Juan Wang,Wenyi Shao,Xiao Ouyang,Xiang Wang,Xinlei Zhang,Yong Guo,Xiaoping Ouyang

Low dimensional scintillators have been successfully and widely applied in the radiation-detection community for home security, scientific research, and imaging. We have grown zero-dimensional Cs4PbBr6 materials with CsPbBr3 nanocrystals embedded by using a solution-growth method at low temperature. We have demonstrated the scintillation properties of these 0D nanoscintillators with high luminescence quantum efficiency for green light. In addition, we have successfully achieved pulse height spectra with this 0D perovskite material, which has been demonstrated with fast decay time (<10 ns), high energy resolution (3.0 ± 0.1%, 59.5 keV from 241Am), high light yield (64 000 photons per MeV) and long term stability under various atmospheres (moisture, radiation). These results are much better than those of the most widely used commercial products such as NaI(Tl). It also demonstrates that this 0D all-inorganic material can be employed as a scintillator for ionization radiation applications such as X-ray imaging and spectroscopy applications.

研究领域: 材料科学 · 辐射探测技术
✓ 已验证 产品关联 DOI PubMed 高影响因子
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JOURNAL OF CHEMICAL PHYSICS · 2012 ·Vol. 137 ·期 12 · IF 3.333

Competitive fragmentation pathways of acetic acid dimer explored by synchrotron VUV photoionization mass spectrometry and electronic structure calculations

Guan Jiwen,Hu Yongjun,Zou Hao,Cao Lanlan,Liu Fuyi,Shan Xiaobin,Sheng Liusi

In present study, photoionization and dissociation of acetic acid dimers have been studied with the synchrotron vacuum ultraviolet photoionization mass spectrometry and theoretical calculations. Besides the intense signal corresponding to protonated cluster ions (CH 3 COOH) n ·H + , the feature related to the fragment ions (CH 3 COOH)H + ·COO (105 amu) via β-carbon-carbon bond cleavage is observed. By scanning photoionization efficiency spectra, appearance energies of the fragments (CH 3 COOH)·H + and (CH 3 COOH)H + ·COO are obtained. With the aid of theoretical calculations, seven fragmentation channels of acetic acid dimer cations were discussed, where five cation isomers of acetic acid dimer are involved. While four of them are found to generate the protonated species, only one of them can dissociate into a C–C bond cleavage product (CH 3 COOH)H + ·COO. After surmounting the methyl hydrogen-transfer barrier 10.84 ± 0.05 eV, the opening of dissociative channel to produce ions (CH 3 COOH) + becomes the most competitive path. When photon energy increases to 12.4 eV, we also found dimer cations can be fragmented and generate new cations (CH 3 COOH)·CH 3 CO + . Kinetics, thermodynamics, and entropy factors for these competitive dissociation pathways are discussed. The present report provides a clear picture of the photoionization and dissociation processes of the acetic acid dimer in the range of the photon energy 9–15 eV.

CAS / MDL: 64-19-7
研究领域: 化学物理学 · 光谱学 · 计算化学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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JOURNAL OF MICROMECHANICS AND MICROENGINEERING · 2022 ·Vol. 32 ·期 6 ·065009 · IF 2.282

A preparation technology of micro-structure glass based on mixed micro and nano powders

Minjie Zhu,Rui Liu,Hongbo Sang,Xiaohui Du,Shuai Liu,Xinyu Liu,Kemeng Ji,Yanwei Xiong,Xiaojuan Li,Yifang Liu,Lingyun Wang

This paper reports a method for the preparation of glass by reflowing commercial mixed micro and nano powders. High-quality micro-structure glass is formed by a microfabrication process combined with reflow process of the mixed micro and nano powders. The quality of glass prepared by different components was investigated and analyzed. Characterization of the formed glass micro-structure was performed by combining scanning electrical microscopy, energy dispersive spectroscopy, x-ray diffraction, and x-ray photoelectron spectroscopy. The glass reflow results were compared with the anodic bonding sample, which showed micro-structure glass prepared by our method was well-formed with high density and transparency. These results may inspire new possibilities for glass-based microsystems and MEMS applications.

研究领域: 材料科学 · 微制造技术 · 纳米技术 · 光学
✓ 已验证 DOI 高影响因子
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Journal of Physical Chemistry C · 2017 · IF 4.536

Structural Studies of Bi2O3–NaPO3 Glasses by Solid State Nuclear Magnetic Resonance and X-ray Photoelectron Spectroscopy

Ruili Zhang,Jinjun Ren,Xinqiang Yuan,Yun Cui,Lei Zhang,Long Zhang

Glasses in the system xBi2O3–(100 – x)NaPO3 were prepared using transitional melting–quenching and characterized using solid state nuclear magnetic resonance (SSNMR), X-ray photoelectron spectroscopy (XPS), and Fourier-transform infrared spectroscopy (FT-IR). The addition of Bi2O3 results in the depolymerization of the phosphorus chain and the formation of Q(n) (n = 0, 1, 2) phosphorus species, where n represents the number of P–O–P bonds that can be quantified using 31P magic angle spinning (MAS) NMR and constant-time double-quantum based dipolar recoupling effects nuclear alignment reduction (CT-DQ-DRENAR). The 23Na{31P}, 31P{23Na}, and XPS results consistently prove that both Na+ and Bi3+ ions are bounded by phosphorus tetrahedron [PO4]3–. Unlike other trivalent ions such as Ga3+ and Al3+, which connect with the phosphorus tetrahedron by corner-sharing, Bi3+ ions were first proved to share edge with the phosphorus tetrahedron by the analysis of 31P spectra, taking the charge balance and bond valence consideration into account. Such a difference in connectivity results in significant structural differences.

研究领域: 材料科学 · 物理学
✓ 已验证 DOI 高影响因子
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ANALYTICAL LETTERS · 2024 · IF 1.6

Pouring and Curing for Sample Preparation Technology for the Analysis of the Silicon-Aluminum Ratio of Molecular Sieves by Energy Dispersive X-Ray Fluorescence (EDXRF)

Qing Shan,Yangxue Luo,Xinlei Zhang,Zhanpeng Zhang,Wenbao Jia,Yongsheng Ling,Daqian Hei,Jiandong Zhang,Chao Shi,Jiehua Bao

The silicon-aluminum ratio of the molecular sieves is a crucial control index for the quality of synthetic molecular sieves. Here a fast, simple and reliable sample preparation method, referred to as pouring and curing method, is described for determining the silicon-aluminum ratio of high silicon molecular sieves by energy dispersive x-ray fluorescence (EDXRF). Resin is used as the carrier with the addition of a curing agent, so that the sample powder is embedded in the resin matrix. By measuring sixteen random positions of the same cured sample, the homogeneity of the sample was evaluated to ensure the stability of the results. A double logarithmic calibration curve of the analysis line ratio and the corresponding concentration ratio of silicon and aluminum was established according to the binary ratio method. The results by EDXRF and inductively coupled plasma-optical emission spectrometer (ICP-OES) were compared with a relative standard error from 2.934 to 6.777%. The good precision shows that the pouring and curing method is a suitable for measuring the silicon-aluminum ratio of molecular sieves.

CAS / MDL: 1344-28-1
研究领域: 材料科学 · 分析化学
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ACS Applied Electronic Materials · 2020 · IF 0

Substrate-Independent Energy-Level Pinning of an Organic Semiconductor Providing Versatile Hole-Injection Electrodes

Tianshu Zhai,Rongbin Wang,Takayoshi Katase,Frances Quigley,Hiromichi Ohta,Patrick Amsalem,Norbert Koch,Steffen Duhm

Tailor-made electrode work functions are indispensable to control energy-level offsets at the interfaces of (opto-)electronic devices. We show by means of photoelectron spectroscopy that several nanometer thick layers of the organic semiconductor 1,4,5,8,9,12-hexaazatriphenylene-2,3,6,7,10,11-hexacarbonitrile (HAT-CN) on virtually all substrates provide hole-injecting electrodes with work functions of around 5.60 eV. This substrate-independent energy-level alignment is due to a relatively large density of gap states in HAT-CN thin films, which is clearly visible in the photoemission data. Furthermore, this additional density of occupied states makes the wide-gap semiconductor thin films sufficiently conductive for electrode applications. Moreover, our study highlights a quite intriguing energy-level alignment scenario as the Fermi-level in HAT-CN thin films is located far from the midgap position, this is rather uncommon for undoped organic semiconductor thin films.

CAS / MDL: 105598-27-4
研究领域: 材料科学 · 物理化学
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Crystals · 2019 ·Vol. 9 ·期 3 ·130 · IF 2.061

Property Improvement of GaAs Surface by 1-Octadecanethiol Passivation

Lu Zhou,Xuefeng Chu,Yaodan Chi,Xiaotian Yang

In this study the effects of 1-Octadecanethiol (ODT, 1-CH3[CH2]17SH) passivation on GaAs (100) surface and GaAs/Al2O3MOS capacitors are investigated. The results measured by X-ray photoelectric spectroscopy (XPS), Raman spectroscopy and scan electron microscopy (SEM) show that the ODT passivation can obviously suppress the formation of As-O bonds and Ga-O bonds on the GaAs surface and produce good surface morphology at the same time, and especially provide better protection against environmental degradation for at least 24 h. The passivation time is optimized by photoluminescence (PL), and the maximum enhancement of PL intensity was 116%. Finally, electrical property of a lower leakage current was measured using the metal-oxide-semiconductor capacitor (MOSCAP) method. The results confirm the effectiveness of ODT passivation on GaAs (100) surface.Keywords:GaAs;passivation;XPS;RAMAN;PL

CAS / MDL: 7664-39-3
研究领域: 材料科学 · 半导体物理
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LANGMUIR · 2025 · IF 3.9

Mechanistic Study of Selective Adsorption of As(V) by a Surface Ion-Imprinted Diatomite-Based Adsorbent

Qintao Yang,Zechao Zheng,Chenhua Shu,Qinglin Xie,Xiangpeng Gao

In this study, a novel As(V) ion-imprinted and 4-picolinic acid (4-PA)-grafted porous diatomite (DE)-based adsorbent (As(V)-IID) was prepared by using the surface ion imprinting technique. The results of the selective adsorption experiment show that the adsorption capacity of As(V) on As(V)-IID reaches 62.78 mg/g in a solution with an initial As(V) concentration of 25 mg/L and a pH value that is near pH 4.0 of the imprinting. The selectivity coefficients (K) of As(V) with respect to Cr(VI) and Mo(VI) were up to 12.14 and 27.79, respectively. The binding process was described well by the pseudo-second-order kinetics and Weber–Morris and Langmuir models. Fourier transform infrared spectra (FTIR), scanning electron microscopy energy dispersive X-ray spectroscopy (SEM-EDS), and X-ray photoelectron spectroscopy (XPS) analyses suggested that the nitrogen of secondary amide and pyridine was the main imprinting site and played a crucial role in the selectivity of binding of As(V) to As(V)-IID. To further validate the sorption mechanisms, density functional theory (DFT) was employed to study the properties of binding of As(V), Cr(VI), and Mo(VI) with As(V)-IID. The computational results showed that the As(V) was selectively recognized by complexing with N-containing functional groups of the As(V)-IID surface into a tridentate mononuclear configuration with a minimal binding energy (Eb) of −18.16 eV, which was completely consistent with characterization analyses. This work revealed the selective adsorption mechanisms of As(V)-IID for As(V) and provided new insight into the selective recognition of oxyanions from water by ion-imprinted adsorbents.

研究领域: 环境科学 · 材料科学 · 化学工程 · 分析化学 · 物理化学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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