CRYSTAL GROWTH & DESIGN
·
2018
·
IF 3.972
Shijie Xu,Yifu Chen,Junbo Gong,Jingkang Wang
In this contribution, by employing the Poisson distribution combined with the regular solution theory in the classical nucleation theory (CNT) framework, we construct a new model to uncover the relationship between induction time (tind) and supercooling (ΔT) and saturation temperature (T0) at different specific probabilities. By choosing the urea aqueous solution as a benchmark system, we show that the value of ln(1/tind) follows a reasonable linear relationship with (T0/ΔT)2/(T0 – ΔT), except the probability value tends to be 0 or 1. Furthermore, we also shed new light on the role of chemical potential difference and nucleation temperature in determining the nucleation rate; namely, although the chemical potential difference is the driving force for the crystallization process, it does not always favor the nucleation process. We demonstrated that when the chemical potential difference increases as the nucleation temperature decreases (ΔT gradually increases), in this case, the kinetic factor overwhelms the thermodynamic factor thus leading to a faster nucleation rate by employing the CNT theory. However, when the chemical potential difference decreases as the nucleation temperature increases, we found that increasing the nucleation temperature favors the nucleation process both in kinetic and thermodynamic aspects.
研究领域:
物理化学
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材料科学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF COLLOID AND INTERFACE SCIENCE
·
2024
·
IF 9.4
Ling Zhang,Runzhi Wang,Guo Liang Li,Hexu Niu,Yiling Bai,Tianao Jiao,Xuehua Zhang,Rongji Liu,Carsten Streb,Menglei Yuan,Guangjin Zhang
The electrocatalytic nitrate reduction reaction (NO 3 − RR) has immense potential to alleviate the problem of groundwater pollution and may also become a key route for the environmentally benign production of ammonia (NH 3 ) products. Here, the unique effects of interfacial electric fields arising from asymmetric chemical potentials and local defects were integrated into the binary Bi 2 S 3 -Bi 2 O 3 sublattices for enhancing electrocatalytic nitrate reduction reactions. The obtained binary system showed a superior Faraday efficiency (FE) for ammonia production of 94 % and an NH 3 yield rate of 89.83 mg g cat -1 h −1 at −0.4 V vs. RHE. Systematic experimental and computational results confirmed that the concerted interplay between interfacial electric fields and local defects not only promoted the accumulation and adsorption of NO 3 – , but also contributed to the destabilization of *NO and the subsequent deoxygenation hydrogenation reaction. This work will stimulate future designs of heterostructured catalysts for efficient electrocatalytic nitrate reduction reactions.
研究领域:
电催化
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材料科学
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环境科学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Nature Communications
·
2025
·Vol. 16
·期 1
·1-11
·
IF 15.7
Chen Fanpeng,Cheng Chuanqi,Wang Jiajun,Han Yanran,Zhao Bo-Hang,Zhang Bin
Metastable carbides and chalcogenides are attractive candidates for wide and promising applications. However, their inherent instability leads to synthetic difficulty and poor durability. Thus, the development of facile strategies for the controllable synthesis and stabilization of metastable carbides is still a great challenge. Here, taking metastable ɛ -Fe 2 C as a case study, potassium ions (K + ) are theoretically predicted and experimentally reported to control the synthesis of metastable ɛ -Fe 2 C from an Fe 2 N precursor by increasing the surface carbon chemical potential ( μ C ). The controllable synthesis and improved stability are attributed to the better-matched denitriding and carburizing rates and the impeded spillover of carbon atoms in metastable ɛ -Fe 2 C with high carbon contents due to the enhanced surface μ C . In addition, this strategy is suitable for synthesizing metastable γ ’-MoC, MoN, 1 T -MoS 2 , 1 T -MoSe 2 , 1 T -MoSe 2 x Te 2(1− x ) , and 1 T -Mo 1 − x W x Se 2 , highlighting the universality of the methodology. Impressively, gram-level scalable metastable ɛ -Fe 2 C remains stable for more than 398 days in air. Furthermore, ɛ -Fe 2 C exhibits remarkable olefin selectivity and durability for more than 36 h of continuous testing. This work not only demonstrates a facile, easily scalable, and general strategy for accessing various metastable carbides and chalcogenides but also addresses the synthetic difficulty and poor durability challenge of metastable materials.
研究领域:
材料科学
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表面化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Journal of Materials Research and Technology-JMR&T
·
2023
·
IF 6.4
Yuxin Shi,Jingwen Tang,Wanjie Sun,Haifeng Tang,Xinxin Xia,Tianyu Wang,Jianxiang Ding,Peigen Zhang,ZhengMing Sun
Metal whisker growth poses a significant reliability threat to electronic devices. Previous investigations have predominantly focused on metal platings and alloy solder samples, yet the intricate factors involved have yielded inconsistent comprehension of the phenomenon. To achieve a comprehensive understanding, exploring intermetallic compounds (IMCs) may offer a novel standpoint. Herein, we present the first report on the growth of single crystal cadmium (Cd) whiskers on Ti 2 Cd IMC, accompanied by the characterization of their composition, crystal structure, and morphological features. Furthermore, the influence of mechanical damage and temperature on the whisker growth is examined. Ball milling induces the decomposition of Ti 2 Cd, liberating active Cd atoms with elevated chemical potentials that consequently feed the whisker growth. These findings augment the existing knowledge on the topic of the metal whisker growth and provide fresh perspectives and references for further investigations in this field.
研究领域:
材料科学
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金属腐蚀与防护
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固态物理
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电子器件可靠性
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无机化学
✓ 已验证
DOI
高影响因子
MATERIALS & DESIGN
·
2022
·
IF 9.417
Jia Yang,Wanqi Zhao,Panpan Lin,Qiuguang Zhang,Xinfei Zhang,Weihang Liu,Tiesong Lin,He Peng,Yanli Zhuang
We designed a composite filler beginning with becoming light elements to be the main diffusing elements and (ii) controlling the diffusion of the light elements. It was achieved by establishing chemical potential and supercooling gradients and shortening the diffusion distance. As a result, a transient liquid phase bonding (TLP) composite joint with hedgehog-like reinforcements and a ductile matrix was obtained. The room-temperature (RT) shear strength of the joint produced at 460 °C for 30 min was up to 84 MPa, and it had a strength of 30 MPa at 600 °C. The hedgehog-like” reinforcements with finer or longer whiskers can provide a better load transfer effect. The progressive phase formation around NiTi was induced by the large supercooled liquid, wherein either the fastest-solidified region or the deepest-supercooled liquid served as a barrier for metallic atoms. Consequently, the lower supercooling and higher Si chemical potential in the farther region enable Si to directionally diffused towards the NiTi. This study offered a novel filler feasible for most ceramic/metal systems with the goals of low-temperature joining and high-temperature using and controllable product distribution; and this idea can be extended to develop other systems.
研究领域:
材料科学
·
焊接工程
✓ 已验证
DOI
高影响因子
ACS Nano
·
2023
·
IF 17.1
Xiangyang Zhang,Xiaolin Ye,Agnes Valencia,Fei Liu,Kelong Ao,Xian Yue,Jihong Shi,Walid A. Daoud,Xuelong Zhou
Constructing active sites with enhanced intrinsic activity and accessibility in a confined microenvironment is critical for simultaneously upgrading the round-trip efficiency and lifespan of all-vanadium redox flow battery (VRFB) yet remains under-explored. Here, we present nanointerfacial electric fields (E-fields) featuring outstanding intrinsic activity embodied by binary Mo2C–Mo2N sublattice. The asymmetric chemical potential on both sides of the reconstructed heterogeneous interface imposes the charge movement and accumulation near the atomic-scale N–Mo–C binding region, eliciting the configuration of an accelerator-like E-field from Mo2N to Mo2C sublattice. Supported with theoretical calculations and intrinsic activity tests, the improved vanadium ion adsorption behavior and charge-transfer process at the nanointerfacial sites were further substantiated, hence expediting the electrochemical kinetics. Accordingly, the pronounced promotion is achieved in the resultant flow battery, yielding an energy efficiency of 77.7% and an extended lifespan of 1000 cycles at 300 mA cm–2, outperforming flow cells with conventional single catalysts in most previous reports.
研究领域:
材料科学
·
电化学工程
·
能源存储技术
✓ 已验证
DOI
PubMed
高影响因子
Frontiers of Chemical Science and Engineering
·
2023
·Vol. 17
·期 10
·1503-1515
·
IF 4.5
Chen Qiao,Zhang Mingdong,Ji Yuanhui
In this work, the influence of the initial chemical potential gradient, stirring speed, and polymer type on sulfamethoxazole (SMX) crystal growth kinetics was systematically investigated through density functional theory (DFT) calculations, experimental measurements and the two-step chemical potential gradient model. To investigate the influence of different conditions on the thermodynamic driving force of SMX crystal growth, SMX solubilities in different polymer solutions were studied. Four model polymers effectively improved SMX solubility. It was further found that polyvinylpyrrolidone (PVP) and hydroxypropyl methyl cellulose (HPMC) played a crucial role in inhibiting SMX crystal growth. However, polyethylene glycol (PEG) promoted SMX crystal growth. The effect of the polymer on the crystal growth mechanisms of SMX was further analyzed by the two-step chemical potential gradient model. In the system containing PEG 6000, crystal growth is dominated by the surface reaction. However, in the system containing PEG 20000, crystal growth is dominated by both the surface reaction and diffusion. In addition, DFT calculations results showed that HPMC and PVP could form strong and stable binding energies with SMX, indicating that PVP and HPMC had the potential ability to inhibit SMX crystal growth.
研究领域:
药学
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材料科学
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化学工程
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计算化学
✓ 已验证
DOI
高影响因子
Nature Communications
·
2023
·Vol. 14
·期 1
·1-9
·
IF 16.6
Xu Xiao,Zhou Jiazheng,Yin Kang,Wang Jinlin,Lou Licheng,Jiao Menghan,Zhang Bowen,Li Dongmei,Shi Jiangjian,Wu Huijue,Luo Yanhong,Meng Qingbo
Kesterite Cu 2 ZnSn(S, Se) 4 is considered one of the most competitive photovoltaic materials due to its earth-abundant and nontoxic constituent elements, environmental friendliness, and high stability. However, the preparation of high-quality Kesterite absorbers for photovoltaics is still challenging for the uncontrollability and complexity of selenization reactions between metal element precursors and selenium. In this study, we propose a solid-liquid/solid-gas (solid precursor and liquid/vapor Se) synergistic reaction strategy to precisely control the selenization process. By pre-depositing excess liquid selenium, we provide the high chemical potential of selenium to facilitate the direct and rapid formation of the Kesterite phase. The further optimization of selenium condensation and subsequent volatilization enables the efficient removal of organic compounds and thus improves charge transport in the absorber film. As a result, we achieve high-performance Kesterite solar cells with total-area efficiency of 13.6% (certified at 13.44%) and 1.09 cm 2 -area efficiency of 12.0% (certified at 12.1%).
研究领域:
材料科学
·
光伏技术
·
太阳能
·
半导体物理
✓ 已验证
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）