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Molecular Hydrogen Storage in Spherophanes： A Molecular Mechanic Investigation

Journal of Chemistry and Chemical Engineering 2011年第3期5卷 217-228页

作者： Amar Saal Ourida Ouamerali Claude A. Daul thibaut Jarrosson Departement of Chemistry UMMTO University Algeria Departement of Chemistry University of Fribourg Chemin du musd 9 Fribourg 1700 Switzerland LPCTCI Laboratory Faculty of Chemistry USTHB El Alia Algiers 16111 Algeria Institut Charles Gerhardt Ensc Montpellier Equipe AM2N 34296 France

At the molecular mechanic level, the capability of a set of 24 molecular cage-like structures, the spherophanes, to store hydrogen molecules has been studied. Two main factors have been found to govern their storage capacity: the volume of their cavity and the potential energy barriers at the different openings at the surface of the cage. Calculations have shown that 13H2 molecules could be stored inside the thiaspherophane, Th4S, whose mean radius is 10? and the resulting complex (H2)13@Th4S is found to be stable. The results show that it would be very difficult to store more than 2H2 inside the smallest spherophane, Sp4, whose mean radius is 7.7?. The mean intermolecular distance H2-H2 and the mean bond length H-H have been found to decrease when the number of imprisoned hydrogen molecules increases. It has also been found that the encapsulated H2 molecules form clusters of different symmetries on which the formation energy depends strongly. Even with 13H2 molecules inside Th4S, the weight percentage is still small, 2.57%. The largest obtained wt% is 3.22% in the case of Th5S(CH3)10.

关键词：分子力学贮氢平均半径存储容量 H2分子分子对称性笼状结构空腔体积

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论制定一部德意志统一民法典之必要性

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作者： (德)安东·弗里德里希·尤斯图斯·蒂堡(Anton Friedrich Justus thibaut)

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Measuring consciousness in coma and related states

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World Journal of Radiology 2014年第8期6卷 589-597页

作者： Carol Di Perri Aurore thibaut Lizette Heine Andrea Soddu Athena Demertzi Steven Laureys Neuroradiology National Neurological Institute C Mondino 27100 Pavia Italy Cyclotron Research Center and Neu-rology Department Coma Science Group University of Liège Physics and Astrono-my Department Western University London Ontario N6A 3K7 Canada

Consciousness is a prismatic and ambiguous concept that still eludes any universal definition. Severe acquired brain injuries resulting in a disorder of con-sciousness(DOC) provide a model from which insights into consciousness can be drawn. A number of recent studies highlight the difficulty in making a diagnosis in patients with DOC based only on behavioral assessments. Here we aim to provide an overview of how neuroimaging techniques can help assess patients with DOC. Such techniques are expected to facilitate a more accurate understanding of brain function in states of unconsciousness and to improve the evaluation of thepatient's cognitive abilities by providing both diagnostic and prognostic indicators.

关键词： Disorders of consciousness Neuroimaging Magnetic resonance imaging Transcranial magnetic stimulation/electroencephalography Minimally conscious state Vegetative state/unresponsive wakefulness syndrome

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Nanoscale interfacial engineering enables highly stable and efficient perovskite photovoltaics

Nanoscale interfacial engineering enables highly stable and ...

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第八届新型太阳能材料科学与技术学术研讨会

作者： Anurag Krishna Hong Zhang Zhiwen Zhou thibaut Gallet Mathias Dankl Olivier Ouellette Felix T.Eickemeyer Fan Fu Mounir Mensi Shaik M.Zakeeruddin Ursula Rothlisberger G.N.Manjunatha Reddy Alex Redinger Michael Gr?tzel Anders Hagfeldt Laboratory of Photomolecular Science Institute of Chemical Sciences and Engineeringécole Polytechnique Fédérale de Lausanne Laboratory of Photonics and Interfaces école Polytechnique Fédérale de Lausanne

Long-term operational stability remains the primary concern for perovskite solar cells. Consequently, there is a quest for searching for new compositions that enable stable and efficient perovskites. We report a new molecular-level interface engineering strategy using a multifunctional ligand that augments long-term operational and thermal stability by chemically modifying the formamidinium lead iodide rich photoactive layer. The surface derivatized solar cells exhibited high operational stability(maximum powering point tracking at 1 sun) with a stabilized T80(the time over which the device efficiency reduces to 80% of its initial value of post-burn-in) of ≈5950 h at 40 oC and stabilized efficiency over 23%. The origin of high device stability and performance is correlated to the nano/subnanoscale molecular level interactions between ligand and perovskite layer, which is corroborated by comprehensive multiscale characterization. Our results provide key insights into the modulation of the grain boundaries, local density of states, surface bandgap, and interfacial recombination. Chemical analysis of the aged devices showed that interface passivation inhibited ion migration and prevented photoinduced I2 release that irreversibly degrades the perovskite. This study shows that passivating ligands have the potential to overcome stability issues associated with the high performing hybrid perovskite compositions, thus allowing a step closer to achieving long-standing stability of perovskitebased solar cells.

关键词： perovskite solar cells supramolecular chemistry molecular passivation grain boundaries defects operational stability

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关于法国精神卫生系统与刑事司法制度的描述性回顾

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犯罪研究 2021年第5期 102-112页

作者： [法]托马斯·福韦 [法]弗洛伦斯·蒂博 [美]安妮·帕森斯 [德]汉斯-乔基姆·萨利斯 [法]皮尔·托马斯 [法]卡米尔·兰斯莱维陶逸君杜志淳法国里尔大学与法国国家健康与医学研究院ONSERM)第1172号联合项目组法国巴黎大学美国北卡罗来纳大学格林斯伯勒分校德国海德堡大学法国圣法兰西精神卫生与心理联合研究所华东政法大学刑事法学院

各国刑事司法体系和精神病学都具有悠久历史,故而,对精神病患者的治疗情况在世界各国都有很大的差别。因此,要想掌握每个体系的具体情况是十分困难的。本文的主旨是对精神健康与法国司法体系之间的相互作用进行叙述性回顾。随后,我们将... 详细信息

各国刑事司法体系和精神病学都具有悠久历史,故而,对精神病患者的治疗情况在世界各国都有很大的差别。因此,要想掌握每个体系的具体情况是十分困难的。本文的主旨是对精神健康与法国司法体系之间的相互作用进行叙述性回顾。随后,我们将讨论司法精神病学这一概念在法国是如何从不存在到应用的过程。

关键词：心理健康监狱刑法法国法庭精神病学

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