SiO2 coated pure and doped titania pigments: low temperature CVD deposition and quantum chemical study

文献情報

出版日 2011-10-24

DOI 10.1039/C1CP22681A

インパクトファクター 3.676

著者

Darren J. Simpson, Alagu Thilagam, Giuseppe P. Cavallaro, Klara Kaplun, Andrea R. Gerson

原文を見る

要旨

We report the in-flight CVD coating with smooth 1–2 nm thick SiO2 of pure and doped rutile particles via the oxidation of SiCl4 vapour introduced in the high temperature zone of a purpose built thermal reactor. The effectiveness of the coatings was determined by a combination of electron microscopy, surface analysis and photocatalytic measurements. No excess Cl was detected on the coated pigment particles indicating the complete oxidation of the SiCl4 precursor. In conjunction with the experimental outcomes of this optimised deposition process, we use first-principles density functional and semi-empirical quantum chemical calculations to examine the underlying electronic processes which determined the morphology and photocatalytic properties of the coated titania. We highlight the presence of low lying valence electronic states which reduce photocatalytic activity, and as a consequence decrease the population of photo-excited titania electrons which transfer to the surrounding matrix. Born–Oppenheimer molecular dynamics (MD) simulations indicate that the coating process is completed within the order of 10 ps.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 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.

SiO2 coated pure and doped titania pigments: low temperature CVD deposition and quantum chemical study

文献情報

おすすめジャーナル

関連文献

A hydrate salt-promoted reductive coupling reaction of nitrodienes with unactivated alkenes

Rhodium(iii)-catalyzed synthesis of 3-trifluoromethylindanones from N-methoxybenzamides via C–H activation and Claisen/retro-Claisen reaction

Synthesis and biological evaluation of fluorinated analogues of ripostatin A

Discovery of new polycyclic polyprenylated acylphloroglucinols with diverse architectures as potent cyclooxygenase-2 inhibitors

Cocatalyst-controlled divergent cascade cycloaddition reaction of arylalkynols and dioxopyrrolidienes: access to spiroketals and oxa-bridged eight-membered cyclic ethers

Palladium-catalyzed enantioselective [5 + 4] annulation of ortho-quinone methides and vinylethylene carbonates

Scalable electrochemical oxidant-and metal-free dehydrogenative coupling of S–H/N–H

A new trifluoromethylated sulfonamide phosphine ligand for Ag(i)-catalyzed enantioselective [3 + 2] cycloaddition of azomethine ylides

Rh-Catalyzed nitrene alkyne metathesis/formal C–N bond insertion cascade: synthesis of 3-iminoindolines

Sulfur polymer composites as controlled-release fertilisers

こちらもおすすめ

環戊烷-1,3-二甲酸甲酯はどのように合成されますか？

4-メトキシ-1,2,3-スチアゼ-3,5-ジオンとは何ですか？

プロスタグランジンA2について「に適用される法規ガイドラインは何ですか？'

4-アミノ-1-ナフタレン sulfonic 酸についての物理化学的性質は何ですか？

N-GlcNAc-生物素を取り扱う際の実験室安全事項は何ですか？

3-アミノメチルフローラノピペリジン-1-カルボニル酸テルブチルエステルとは何ですか？

6-溴-1-甲基-1H-ベンゾ[d][1,2,3]三氮唑はどのように合成されますか？

4-硫代尿苷はどのように合成されますか？

ブレインナトリユリックペプチド32ラットとは何ですか？

1-(3-氮杂啶)-4-羟基哌啶双盐酸盐の物理化学的性質は何ですか？

掲載誌

Physical Chemistry Chemical Physics

おすすめ化合物

1,2,3-Propanetriyl triheptadecanoate

N-Ethyl-N-nitroso-2-propanamine

N,N'-1,2-Ethanediylbis[2-(vinylsulfonyl)acetamide]

2-Methyl-2-propanyl (3R,5S)-6-chloro-3,5-dihydroxyhexanoate

Magnesium taurate

おすすめサプライヤー