Solute-adsorption enhanced heterogeneous nucleation: the effect of Cu adsorption on α-Al nucleation at the sapphire substrate

文献信息

发布日期 2021-02-02
DOI 10.1039/D0CP06000C
影响因子 3.676
作者

Sida Ma, Zihui Dong, Nanfu Zong, Tao Jing, Hongbiao Dong


查看原文

摘要

Interfacial adsorption of solute atoms is a promising means to tune heterogeneous nucleation. In this study, a new method has been established to theoretically evaluate the effect of solute addition on the nucleation potency of heterogeneous nucleation interfaces. The evaluation consists of three steps: (1) analyzing the solute adsorption behavior; (2) determining the nucleation mode; and (3) evaluating the effect of solute adsorption on nucleation potency using the solute-adsorbed interface model. A combination of the ab initio and molecular dynamics methods together with the two-phase thermodynamic model was used to evaluate a prototype Al–Cu/(0001) sapphire interface. It is found that solute Cu atoms adsorb at the interface between the melt and (0001) sapphire interface. The adsorption is driven by the strengthening of the Cu–Al bonds as revealed by the Bader charge analysis which is demonstrated to reduce interfacial energy. Furthermore, it is revealed that the interfacial adoption of Cu results in the formation of an Al–Cu adsorption layer, which enhances the interfacial chemical affinity thus enlarging the nucleation driving force. Meanwhile, the lattice mismatch between the sapphire substrate and the primary Al (α-Al) nucleus is decreased by Cu addition, which lowers the barrier for nucleation. The above two effects together increase the nucleation potency of the studied interface, which is in good agreement with previous experiments. It is proposed that the effect of solute adsorption shall be considered in the search for effective substrates for tuning the nucleation.

相关文献

Preparation of poly(3,4-ethylenedioxythiophene) (PEDOT) coated silica core–shell particles and PEDOT hollow particles

Moon Gyu Han, Stephen H. Foulger

2004-08-20 Communication

DOI: 10.1039/B409396H

Preparation of ordered large pore SBA-15 silica functionalized with aminopropyl groups through one-pot synthesis

Xueguang Wang, Kyle S. K. Lin, Jerry C. C. Chan, Soofin Cheng

2004-10-08 Communication

DOI: 10.1039/B408022J

Facile deposition of copper-doped diamond-like carbon nanocomposite films by a liquid-phase electrochemical route

Heqing Jiang, Lina Huang, Zhijun Zhang, Tao Xu, Weimin Liu

2004-08-19 Communication

DOI: 10.1039/B408497G

New reactions in water: metal-free conversion of alcohols and ketones into α-iodoketones

José Barluenga, María Marco-Arias, Francisco González-Bobes, Alfredo Ballesteros, José M. González

2004-10-04 Communication

DOI: 10.1039/B411227J

Role of pore curvature on the thermal stability of gold nanoparticles in mesoporous silica

Mangesh T. Bore, Hien N. Pham, Timothy L. Ward, Abhaya K. Datye

2004-10-04 Communication

DOI: 10.1039/B407575G

A new packing motif for para-sulfonatocalix[4]arene: the solid state structure of the para-sulfonatocalix[4]arene d-arginine complex

Adina Lazar, Eric Da Silva, Alda Navaza, Carole Barbey, Anthony W. Coleman

2004-08-20 Communication

DOI: 10.1039/B408863H

A supramolecular approach to the selective detection of dopamine in the presence of ascorbate

Alex Fragoso, Eduardo Almirall, Roberto Cao, Luis Echegoyen, Raúl González-Jonte

2004-08-23 Communication

DOI: 10.1039/B407792J

Hierarchical self-assembly in polymeric complexes: Towards functional materials

Olli Ikkala, Gerrit ten Brinke

2004-09-16 Feature Article

DOI: 10.1039/B403983A

Photo-reversible Pb2+-complexation of thermosensitive poly(N-isopropyl acrylamide-co-spiropyran acrylate) in water

Takayuki Suzuki, Tatsuya Kato, Hiraku Shinozaki

2004-08-13 Communication

DOI: 10.1039/B407342H

您可能还喜欢

化合物问答

(5-氨基吡唑-3-基)乙酸(CAS号:174891-10-2)的物理化学性质是什么?

(5-氨基吡唑-3-基)乙酸是一种无色至白色固体,分子量为174.15 g/mol。它在水中具有较好的溶解性,在有机溶剂中的溶解度较低。该化合物具有较好的反应活...

174891-10-2(3-Amino-1H-pyrazol-...
化合物问答

3-氟-4,5-二氯苯胺(CAS号:35754-38-2)适用哪些法规指南?

3-氟-4,5-二氯苯胺受到多项法规指南的约束,包括但不限于GHS(全球化学品统一分类和标签制度)的危险分类标准、欧盟的REACH法规(注册、评估、授权和限制)...

35754-38-23,4-Dichloro-5-fluor...
化合物问答

什么是(R)-(+)-2,2',6,6'-四甲氧基-4,4'-联(二(3,5-二甲苯基基)膦基)-3,3'-二联吡啶(CAS号:442905-33-1)?

这是一种有机化合物,化学名为(R)-(+)-2,2',6,6'-四甲氧基-4,4'-联(二(3,5-二甲苯基基)膦基)-3,3'-二联吡啶,CAS号为44290...

442905-33-14,4'-Bis[bis(3,5-dim...
化合物问答

1-氨基-2-氰基萘(CAS号:3100-67-2)应用于哪些行业?

1-氨基-2-氰基萘在医药、聚合物、传感器和半导体等行业中有应用。在医药领域,它可用作中间体合成某些药物。在聚合物行业,它可以用于制备具有特定性能的聚合物。此外...

3100-67-21-Amino-2-naphthonit...
化合物问答

如何处理含有1-溴-4-(异丙氧基甲基)苯(CAS号:98446-84-5)的废料?

处理含1-溴-4-(异丙氧基甲基)苯的废料时,首先应确保废液收集在防渗漏的容器中,避免泄露。然后,可以考虑采用化学降解法或物理吸附法进行处理。在特定条件下,可通...

98446-84-51-Bromo-4-(isopropox...
化合物问答

6-Chloro-8-(trifluoromethyl)chroman-4-one(CAS号:1344889-75-3)的主要用途是什么?

6-氯-8-三氟甲基-2,3-二氢-4H-色喃-4-酮主要用于有机合成中的中间体,也可作为研究试剂使用。

1344889-75-36-Chloro-8-(trifluor...
化合物问答

7-乙氧基-2-萘酚(CAS号:57944-44-2)通常如何合成?

7-乙氧基-2-萘酚通常通过N-乙氧基化反应合成,首先将2-萘酚与乙醇钠在乙醇中反应生成7-乙氧基-2-萘酚钠盐,再通过酸化进一步得到7-乙氧基-2-萘酚。该合...

57944-44-27-Ethoxy-2-naphthol
化合物问答

4-(1,1-二氧硫代吗啉)丁醇(CAS号:59801-41-1)适用哪些法规指南?

该化合物需遵循一系列的法规指南,包括但不限于GHS全球统一分类和标签制度,其分类可能包括易燃液体和可能危害水生环境。在欧洲,还需遵循REACH法规,确保物质和混...

59801-41-14-(4-Hydroxybutyl)th...
化合物问答

4-甲氧基苄基叠氮甲酸酯(CAS号:25474-85-5)的物理化学性质是什么?

4-甲氧基苄基叠氮甲酸酯是一种无色液体,具有一定的挥发性。其分子量为198.16,熔点为-69°C,沸点为105°C。该化合物在水中溶解度较低,在有机溶剂如乙醇...

25474-85-54-Methoxybenzyl carb...
化合物问答

如何处理含有4-氯-2-氟嘧啶(CAS号:51422-00-5)的废料?

含有4-氯-2-氟嘧啶的废料应按照危险废物处理。首先,应收集并分类这些废料,避免与其他废物混合。然后,可以采用焚烧处理或者交由专业机构进行处置。在处理过程中,需...

51422-00-54-Chloro-2-fluoropyr...

来源期刊

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
自引率: 10.3%
年发文量: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

推荐供应商

免责声明
本页面提供的学术期刊信息仅供参考和研究使用。我们与任何期刊出版商均无关联,也不处理投稿事宜。如有投稿相关咨询,请直接联系相关期刊出版商。
如发现页面信息有误,请发送邮件至 support@chemtradehub.com 联系我们。我们将及时核实并处理您的问题。