Theoretical studies of Pt–Ti nanoparticles for potential use as PEMFC electrocatalysts
文献情報
Paul C. Jennings, Bruno G. Pollet, Roy L. Johnston
A theoretical investigation is presented of alloying platinum with titanium to form binary Pt–Ti nanoalloys as an alternative to the expensive pure platinum catalysts commonly used for Proton Exchange Membrane Fuel Cell cathode electrocatalysts. Density Functional Theory calculations are performed to investigate compositional effects on structural properties as well as Oxygen Reduction Reaction kinetics and poisoning effects. High symmetry A32–B6clusters are studied to investigate structural properties. From these structures binding energies of hydroxyl and carbon monoxide are studied on a range of sites on the surface of the clusters. Promising results are obtained suggesting that the bimetallic Pt–Ti nanoalloys may exhibit enhanced properties compared to pure platinum catalysts.
関連文献
Identifying the charge generation dynamics in Cs+-based triple cation mixed perovskite solar cells
Manuel Salado, Ramesh K. Kokal, Laura Calio, Samrana Kazim, Melepurath Deepa, Shahzada Ahmad
DOI: 10.1039/C7CP03760K
Interpretation of the à ← transition of hydrated protons in aqueous solutions observed in the far-UV region with quantum chemical calculations
Takeyoshi Goto, Krzysztof B. Beć, Yukihiro Ozaki
DOI: 10.1039/C7CP01766A
Geobacter sulfurreducens pili support ohmic electronic conduction in aqueous solution
Nicole L. Ing, Tyler D. Nusca
DOI: 10.1039/C7CP03651E
Constructing heterostructured Li–Fe–Ni–Mn–O cathodes for lithium-ion batteries: effective improvement of ultrafast lithium storage
Xiaoxiao Zhang, Qing Xue
DOI: 10.1039/C7CP04092J
Adsorption of anti-inflammatory nimesulide by graphene materials: a combined theoretical and experimental study
I. M. Jauris, A. J. G. Zarbin, C. S. Umpierres, C. Saucier, E. C. Lima, S. B. Fagan, I. Zanella, F. M. Machado
DOI: 10.1039/C7CP04272H
Does increasing pressure always accelerate the condensed material decay initiated through bimolecular reactions? A case of the thermal decomposition of TKX-50 at high pressures
Qun Zeng, Xianggui Xue, Zengming Zhang, Fude Nie, Chaoyang Zhang
DOI: 10.1039/C7CP04015F
Dislocation assisted crack healing in h-BN nanosheets
Rajesh Kumar, Avinash Parashar
DOI: 10.1039/C7CP04455K
Redox titration of gold and platinum surface oxides at porous microelectrodes
Mareike Haensch, Luis Balboa, Alexander Dyck, Gunther Wittstock
DOI: 10.1039/C7CP04589A
External electric field control: driving the reactivity of metal-free azide–alkyne click reactions
Kalishankar Bhattacharyya, Sharmistha Karmakar, Ayan Datta
DOI: 10.1039/C7CP04202G
Sum frequency generation vibrational spectroscopy of methacrylate-based functional monomers at the hydrophilic solid–liquid interface
Narendra M. Adhikari, Uvinduni I. Premadasa, Katherine L. A. Cimatu
DOI: 10.1039/C7CP03113K
こちらもおすすめ
3-(2-オキサプロピル)ベンzoic酸はどのように合成されますか?
3-(2-オキサプロピル)ベンzoic酸は、ベンzoic酸とプロパノ酸をヒドロキシム化合物として反応させて生成します。具体的には、ベンzoic酸とプロパノ酸を反...
4-メチル-4-ピペリジニル-1-ピロリドイン甲酸の主な用途は何ですか?
4-メチル-4-ピペリジニル-1-ピロリドイン甲酸は、主に医薬品の合成材料や研究用物質として使用されます。さらに、一部の薬理学的研究にも応用されています。
Biotin-PEG3-oxyamine HCl塩について、適切な化合物名称に適用される法規ガイドラインは何ですか?
Biotin-PEG3-oxyamine HCl塩は、GHS( Globally Harmonized System of Classification and...
N-(4-イソチオシアネートフェニル)-2-メトキシアリニンはどのように合成されますか?
N-(4-イソチオシアネートフェニル)-2-メトキシアリニンは、4-イソチオシアノフェノールと2-メトキシアリニルアミンのアミニド反応を用いて合成されます。この...
金粉蕨亭2'-O-葡萄糖甙の主な用途は何ですか?
金粉蕨亭2'-O-葡萄糖甙は主に薬理研究や医薬品製造に使用され、抗炎症作用や抗がん作用などがあります。また、その構造や性質から、合成化学や化学生理学の研究にも用...
2-(2-ニトロフェニル)酢酸ヒドライドの物理化学的性質は何ですか?
2-(2-ニトロフェニル)酢酸ヒドライドのCAS番号は114953-81-0です。この化合物は白色結晶性粉末で、分子量は244.12です。水溶性は限られており、...
5-(ヒドロキシメチル)-2-チオキソ-2,3-ジヒドロピリミジン-4(1H)-オンを取り扱う際の実験室安全事項は何ですか?
この化合物は高活性のため、取り扱いには注意が必要です。PPE(個人保護具)としてゴーグル、ガントリー、および防滴シールドを着用することが推奨されます。ドラフトチ...
11-脱氢血栓烷 b2の市場動向や研究トレンドはどうですか?
11-脱氢血栓烷 b2は、血栓溶解・抗凝固作用に関する研究で注目を集めています。特に心血管疾患の治療法開発において、市場の需要が高まっています。研究トレンドとし...
3,3-二甲基哌啶-4-酮はどのように保存すればよいですか?
3,3-二甲基哌啶-4-酮は避光、常温、乾燥した場所で保存してください。容器は密閉し、遠くから火源を離して保管することを確認してください。
掲載誌
Physical Chemistry Chemical Physics

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.














