Geometrical flexibility of platinum nanoclusters: impacts on catalytic decomposition of ethylene glycol

文献信息

发布日期 2017-09-29
DOI 10.1039/C7CP04485B
影响因子 3.676
作者

Mehdi Mahmoodinia, Per-Olof Åstrand, Khanh-Quang Tran


查看原文

摘要

Catalytic decomposition of ethylene glycol on the Pt13 cluster was studied as a model system for hydrogen production from a lignocellulosic material. Ethylene glycol was chosen as a starting material because of two reasons, it is the smallest oxygenate with a 1 : 1 carbon to oxygen ratio and it contains the C–H, O–H, C–C, and C–O bonds also present in biomass. Density functional theory calculations were employed for predictions of reaction pathways for C–H, O–H, C–C and C–O cleavages, and Brønsted–Evans–Polanyi relationships were established between the final state and the transition state for all mechanisms. The results show that Pt13 catalyzes the cleavage reactions of ethylene glycol more favourably than a Pt surface. The flexibility of Pt13 clusters during the reactions is the key factor in reducing the activation barrier. Overall, the results demonstrate that ethylene glycol and thus biomass can be efficiently converted into hydrogen using platinum nanoclusters as catalysts.

相关文献

Perylene-diimide for organic solar cells: current scenario and prospects in molecular geometric, functionalization, and optoelectronic properties

Pachaiyappan Murugan, Ezhakudiayan Ravindran, Vajjiram Sangeetha, Shi-Yong Liu

2023-11-14 Review Article

DOI: 10.1039/D3TA04925F

Spiro[fluorene-9,9′-xanthene]-based hole shuttle materials for effective defect passivation in perovskite solar cells

Bommaramoni Yadagiri, Sanjay Sandhu, Ashok Kumar Kaliamurthy, Francis Kwaku Asiam, Jongdeok Park, Appiagyei Ewusi Mensah, Jae-Joon Lee

2023-11-21 Paper

DOI: 10.1039/D3TA05915D

Making chemicals from the air: the new frontier for hybrid electrosyntheses in artificial tree-like devices

Gabriele Centi, Siglinda Perathoner

2023-09-21 Critical Review

DOI: 10.1039/D3GC02135A

Establishing a multifunctional solid electrolyte interphase on a 3D host by an ultra-fast double coating strategy for stable lithium metal batteries

Ji Young Maeng, Minjun Bae, Yonghwan Kim, Dohyeong Kim, Yujin Chang, Seungman Park, Juhyung Choi, Eunji Lee, Jeongyeon Lee

2023-12-11 Paper

DOI: 10.1039/D3TA05963D

Back cover

2024-01-03 Cover

DOI: 10.1039/D4TA90008A

Contents list

2023-12-19 Front/Back Matter

DOI: 10.1039/D4TA90002B

Contents list

2024-01-22 Front/Back Matter

DOI: 10.1039/D4GC90009J

Back cover

2023-12-19 Cover

DOI: 10.1039/D4TA90003K

您可能还喜欢

化合物问答

如何处理含有顺-二(2,2'-联吡啶)二氯化钌(II)二水合物(CAS号:67776-38-9)的废料?

处理含有该化合物的废料时,应先收集并分类,然后根据其危险特性选择合适的处理方法。推荐采用焚烧或由专业机构进行安全处理,以确保符合环保法规的要求。处理过程中应佩戴...

67776-38-93-{[(2R,3R,4S,5R,6R)...
化合物问答

4-amino-2-bromo-3-iodopyridine(CAS号:1300750-77-9)的市场或研究趋势如何?

4-氨基-2-溴-3-碘吡啶主要应用于药物合成和研究领域,尤其是在抗病毒和抗癌药物的研发中。随着新型药物的需求增加,该化合物的研究趋势较好。市场方面,由于其特殊...

1300750-77-92-bromo-3-iodopyridi...
化合物问答

4-乙酰基氨基-2-氨基-苯甲酸(CAS号:43134-76-5)的市场或研究趋势如何?

当前,4-乙酰基氨基-2-氨基-苯甲酸(CAS号:43134-76-5)在医药和化工领域有一定的应用。随着药物研发的进展,该化合物在新型药物设计中的应用可能增加...

43134-76-54-Acetamido-2-aminob...
化合物问答

庚a氟-1-(1-碘-1,2,2,2-四氟乙氧基)丙烷(CAS号:107432-46-2)的市场或研究趋势如何?

该化合物目前主要用于特定的工业应用,如氟聚合物的合成。市场趋势显示,由于其独特的结构和性能,未来可能在新型氟材料和特种化学品领域有更多的应用。研究趋势方面,主要...

107432-46-21,1,1,2,2,3,3-Heptaf...
化合物问答

在合成中是否有Propargyl-PEG13-bromide(CAS号:2055105-25-2)的替代品?

可以考虑使用1,3-丁二烯-1-炔-3-基-聚乙二醇-13-溴化物作为Propargyl-PEG13-bromide的替代品,因为两者在结构上相似,均可用于合成...

2055105-25-2Propargyl-peg13-brom...
化合物问答

2-氨基-6-甲氧基嘌呤(CAS号:20535-83-5)安全吗?

2-氨基-6-甲氧基嘌呤在正常使用条件下相对安全,但在操作时仍需注意防护措施,如佩戴手套和护目镜,避免吸入或接触皮肤和眼睛。

20535-83-56-Methoxy-7H-purin-2...
化合物问答

2-甲基-3-溴苯乙酸乙酯(CAS号:1261862-72-9)适用哪些法规指南?

该化合物根据其化学性质和潜在危害,可能适用于GHS(全球化学品统一分类和标签制度)的分类标准。具体分类需依据其毒性和燃烧危险性进行评估。此外,欧洲化学品管理局(...

1261862-72-9Ethyl (3-bromo-2-met...
化合物问答

4,4-二甲基吡咯烷-3-羧酸盐酸盐(CAS号:1351343-41-3)应用于哪些行业?

4,4-二甲基吡咯烷-3-羧酸盐酸盐在医药、聚合物和传感器领域有应用。在医药领域,它可以作为某些药物的中间体;在聚合物领域,它可用作某些聚合物的稳定剂;在传感器...

1351343-41-34,4-Dimethyl-3-pyrro...
化合物问答

处理5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl 2-O-beta-D-xylopyranosyl-beta-D-glucopyranoside(CAS号:149998-39-0)时应注意哪些实验室安全事项?

处理该化合物时应注意使用个人防护装备(如手套、护目镜和实验服),在通风橱中操作。避免直接接触皮肤和吸入,泄漏时应立即清理并使用适当的吸收材料。参考安全数据表(S...

149998-39-05-Hydroxy-7-methoxy-...
化合物问答

7-甲基-1,2,3,4-四氢-吖啶-9-甲酸(CAS号:345621-27-4)的市场或研究趋势如何?

该化合物在医药研究中具有潜在应用价值,特别是在抗癌药物研发方面。随着研究的深入,对其合成方法的优化和生物活性的进一步探索将成为研究热点。

345621-27-47-Methyl-1,2,3,4-tet...

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。