Article
Chemistry, Multidisciplinary
Dirk Franz, Ulrike Schroeder, Roman Shayduk, Bjoern Arndt, Heshmat Noei, Vedran Vonk, Thomas Michely, Andreas Stierle
Summary: The investigation revealed that Ir-seeded Pd nanocluster superlattices can be grown on graphene with high structural perfection, showing different expansion behavior upon hydrogen exposure. The results indicate that ultrasmall Pd clusters on graphene exhibit stable hydrogen storage properties.
Article
Chemistry, Physical
Li -Juan Ma, Ting Han, Zhichao Hao, Jianfeng Wang, Jianfeng Jia, Hai-Shun Wu
Summary: We investigated the growth pattern of Tin clusters on graphene and the bonding states of hydrogen. The stable Tin clusters on pristine graphene have quasi-planar structures, except for Ti4 and Ti5. Spillover occurs efficiently on single-site Ti catalysts, while the migration energy barrier from Tin clusters to graphene on the cluster is higher. Defects in graphene result in three-dimensional conical configurations for Tin clusters, with Ti3 and Ti6 being the most stable. Our findings provide a molecular-level explanation for recent experiments.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Green & Sustainable Science & Technology
Arife Uzundurukan, Elif Seda Akca, Yagmur Budak, Yilser Devrim
Summary: In this study, carbon nanotube-graphene supported PtAu, Au and Pt catalysts were prepared and tested in a liquid-fed NaBH4/H2O2 fuel cell. The PtAu/CNT-G catalyst showed enhanced performance with a maximum power density of 139 mW/cm(2) at 50 degrees Celsius.
Article
Green & Sustainable Science & Technology
A. Sihag, Y. I. A. Reyes, Y. -C. Lin, M. S. Dyer, H. -Y. Tiffany Chen
Summary: This study investigates the hydrogen dissociation, adsorption, and spillover on Pt-4 supported on defective graphene. The presence of vacancy defects improves the hydrogen adsorption and spillover, and enhances the metal-support interactions.
MATERIALS TODAY SUSTAINABILITY
(2023)
Article
Chemistry, Physical
Liuting Zhang, Changhao Zhao, Fuying Wu, Yijing Wang
Summary: Carbon-wrapped Ti and Co bimetallic oxide nanocages (Ti-CoO@C) were synthesized and doped into magnesium hydride (MgH2) to enhance its hydrogen storage performance.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Physical
Federico Loi, Monica Pozzo, Luca Sbuelz, Luca Bignardi, Paolo Lacovig, Ezequiel Tosi, Silvano Lizzit, Aras Kartouzian, Ueli Heiz, Dario Alfe, Alessandro Baraldi
Summary: The evolution of condensed matter from single atoms to three-dimensional structures plays a crucial role in nanoscience. This study focuses on the formation of nano-oxides, particularly in heterogeneous catalysis reactions. The researchers discovered that even extremely small atomic aggregates can exhibit similar local structures and oxidation states as bulk oxides, which suggests their potential use in important catalytic reactions.
JOURNAL OF MATERIALS CHEMISTRY A
(2022)
Article
Chemistry, Multidisciplinary
Kaicheng Xian, Meihong Wu, Mingxia Gao, Shun Wang, Zhenglong Li, Panyu Gao, Zhihao Yao, Yongfeng Liu, Wenping Sun, Hongge Pan
Summary: This research synthesizes a 2D nanoflake-shaped bimetallic oxide catalyst (TiNb2O7) with high surface area for MgH2 hydrogen storage. The addition of TiNb2O7 nanoflakes greatly improves the hydrogen storage performance of MgH2, lowering the onset dehydrogenation temperature by 100 degrees C and increasing the dehydrogenation capacity and cycling stability.
Article
Chemistry, Physical
Junyan Guo, Xiaoli Li, Hongjuan Duan, Haijun Zhang, Quanli Jia, Shaowei Zhang
Summary: The development of Pt-Ni bimetallic nanoparticles supported by partially reduced graphene oxide (prGO) provides a facile and efficient approach for sustainable hydrogen production. The catalyst exhibits excellent catalytic activity and durability, making it a promising option for hydrogen generation from alkaline solutions.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Review
Chemistry, Physical
Soroosh Saeedi, Xuan Trung Nguyen, Filippo Bossola, Claudio Evangelisti, Vladimiro Dal Santo
Summary: In this review, the performance of Ni-based catalysts supported on Mg(Al)O for SMR and DRM processes is analyzed in-depth. It is found that bimetallic catalysts, with the addition of a small amount of a second metal to Ni, can improve the catalyst durability. Innovative synthesis and pretreatment methods have also shown relevant improvements in enhancing the overall H-2 productivity.
Article
Chemistry, Physical
Yuanfang Wu, Wang Zhao, Lijun Jiang, Zhinian Li, Xiumei Guo, Jianhua Ye, Baolong Yuan, Shumao Wang, Lei Hao
Summary: V-based hydrogen storage alloys are considered promising materials for high hydrogen capacity under ambient conditions. The addition of Fe or Al affects the hydrogen storage capacity and desorption plateau pressure. The relationship between lattice parameters, electron density, and hydrogen capacity is discussed. The optimized 75 V-Ti-15Cr-1Al-1Fe alloy shows high hydrogen storage capacity, pressure, and excellent cyclic performance.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Geosciences, Multidisciplinary
Stefan Iglauer, Hussein Abid, Ahmed Al-Yaseri, Alireza Keshavarz
Summary: The research suggests that storing hydrogen gas in underground coal seams could enable large-scale hydrogen storage and advance the development of a hydrogen economy. The adsorption capacity of hydrogen gas reached 0.6 moles H-2/kg at a certain pressure, with pressure significantly affecting adsorption capacity while temperature had minimal impact.
GEOPHYSICAL RESEARCH LETTERS
(2021)
Article
Materials Science, Multidisciplinary
Mengchen Song, Liuting Zhang, Jiaguang Zheng, Zidong Yu, Shengnan Wang
Summary: Graphene-supported FeOOH nanodots were successfully prepared and incorporated into MgH2, resulting in improved hydrogen storage performance.
INTERNATIONAL JOURNAL OF MINERALS METALLURGY AND MATERIALS
(2022)
Article
Chemistry, Physical
Huiren Liang, Zhengzhuan Xie, Ruolin Zhao, Xiaobin Wen, Feifan Hong, Weitao Shi, Haiqiang Chen, Haizhen Liu, Wenzheng Zhou, Jin Guo, Zhiqiang Lan
Summary: A nickel-vanadium bimetallic oxide prepared through a hydro-thermal method can enhance the hydrogen storage performance of magnesium hydride, improving its absorption and desorption kinetics, and reducing the apparent activation energies. This improvement is attributed to the heterogeneous catalysis of vanadium and nickel.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Chemistry, Physical
Pawan K. Soni, A. Bhatnagar, V Shukla, M. A. Shaz
Summary: Graphene templated Ti-Ni-Fe nanoparticles (TieNieFe@Gr) exhibit excellent catalytic effect on the de/re-hydrogenation characteristics of MgH2, lowering the onset desorption temperature and improving cycling performance. Analysis suggests possible electronic exchange between the catalyst and Mg/MgH2. Anchoring on the graphene template prevents agglomeration that would be detrimental to cycling performance.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Chemistry, Physical
Yuan Tang, Xiaofang Jia, Yuchen Guo, Zikang Geng, Chunyang Wang, Lequan Liu, Junying Zhang, Wanqian Guo, Xin Tan, Tao Yu, Jinhua Ye
Summary: The interfacial Pt-S bonds are designed via an in situ photoreduction to anchor Pt sub-nanoclusters on the tandem homojunction CdS. The optimized Pt-0.02-CdSx-T photocatalyst exhibits impressive hydrogen evolution performance and an apparent quantum yield much higher than that of pristine CdS. Systematic investigations reveal that the interfacial Pt-S bonds and homojunction CdSx-T play crucial roles in facilitating photocarrier transfer, electron transfer kinetics, and H* adsorption capacity.
ADVANCED ENERGY MATERIALS
(2023)
Article
Physics, Multidisciplinary
Y. Betancur-Ocampo, M. E. Cifuentes-Quintal, G. Cordourier-Maruri, R. de Coss
Article
Materials Science, Multidisciplinary
M. E. Cifuentes-Quintal, R. de Coss
PHILOSOPHICAL MAGAZINE LETTERS
(2015)
Article
Chemistry, Physical
C. M. Ramos-Castillo, J. U. Reveles, M. E. Cifuentes-Quintal, R. R. Zope, R. de Coss
JOURNAL OF PHYSICAL CHEMISTRY C
(2016)
Article
Chemistry, Physical
C. M. Ramos-Castillo, M. E. Cifuentes-Quintal, E. Martinez-Guerra, R. de Coss
Article
Chemistry, Multidisciplinary
Abraham Colin-Molina, Marcus J. Jellen, Joelis Rodriguez-Hernandez, Miguel Eduardo Cifuentes-Quintal, Jorge Barroso, Ruben A. Toscano, Gabriel Merino, Braulio Rodriguez-Molina
CHEMISTRY-A EUROPEAN JOURNAL
(2020)
Article
Chemistry, Multidisciplinary
Armando A. Morin-Martinez, Jessica Arcudia, Ximena Zarate, Miguel Eduardo Cifuentes-Quintal, Gabriel Merino
Summary: In this study, two recently predicted polymorphs of the BeH2 monolayer, alpha-BeH2 and beta-BeH2, were investigated using density functional theory. It was found that alpha-BeH2 exhibits a negative Poisson's ratio and maintains this property during tensile deformation, while also showing an outward auxetic transition in certain regions. On the other hand, beta-BeH2 undergoes phase transitions at very small strains.
JOURNAL OF COMPUTATIONAL CHEMISTRY
(2023)
Article
Physics, Multidisciplinary
Jessica Arcudia, Roman Kempt, Miguel Eduardo Cifuentes-Quintal, Thomas Heine, Gabriel Merino
PHYSICAL REVIEW LETTERS
(2020)
Article
Chemistry, Multidisciplinary
Abraham Colin-Molina, Diego Velazquez-Chavez, Marcus J. Jellen, Lizbeth A. Rodriguez-Cortes, Miguel Eduardo Cifuentes-Quintal, Gabriel Merino, Braulio Rodriguez-Molina
Article
Chemistry, Multidisciplinary
Andres Aguilar-Granda, Abraham Colin-Molina, Marcus J. Jellen, Alejandra Nunez-Pineda, M. Eduardo Cifuentes-Quintal, Ruben Alfredo Toscano, Gabriel Merino, Braulio Rodriguez-Molina
CHEMICAL COMMUNICATIONS
(2019)
Article
Chemistry, Multidisciplinary
Abraham Colin-Molina, Marcus J. Jellen, Eduardo Garcia-Quezada, Miguel Eduardo Cifuentes-Quintal, Fernando Murillo, Jorge Barroso, Salvador Perez-Estrada, Ruben A. Toscano, Gabriel Merino, Braulio Rodriguez-Molina
Article
Materials Science, Multidisciplinary
M. E. Cifuentes-Quintal, O. de la Pena-Seaman, R. Heid, R. de Coss, K. -P. Bohnen
Article
Chemistry, Physical
Sergey Yu. Ketkov, Sheng-Yuan Tzeng, Elena A. Rychagova, Anton N. Lukoyanov, Wen-Bih Tzeng
Summary: Metallocenes, including methylcobaltocene, play important roles in various fields of chemistry. The ionization energy and vibrational structure of (Cp ')(Cp)Co can be influenced by introducing methyl substituents. The mass-analyzed threshold ionization spectrum and DFT calculations provide accurate information about the properties and transformations of (Cp ')(Cp)Co.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Review
Chemistry, Physical
Qifeng Mu, Jian Hu
Summary: Polymer mechanochemistry has experienced a renaissance due to the rapid development of mechanophores and principles governing mechanochemical transduction or material strengthening. It has not only provided fundamental guidelines for converting mechanical energy into chemical output, but also found applications in engineering and smart devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Da Hye Yang, Francesco Ricci, Fredrik L. Nordstrom, Na Li
Summary: Through systematic evaluation of the oiling-out behavior of procaine, we identified both stable and metastable liquid-liquid phase separation, and established phase diagrams to assist in rational selection of crystallization strategies.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Vikki Anand Varma, Simmie Jaglan, Mohd Yasir Khan, Sujin B. Babu
Summary: Designing engineering structures like nanocages, shells, and containers through self-assembly of colloids is a challenging problem. This work proposes a simple model for the subunit, which leads to the formation of monodispersed spherical cages or containers. The model with only one control parameter can be used to design cages with the desired radius.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Hainan Jiang, Yaolong He, Xiaolin Li, Zhiyao Jin, Huijie Yu, Dawei Li
Summary: The cycling lifespan and coulombic efficiency of lithium-ion batteries are crucial for high C-rate applications. The Li-ion concentration plays a crucial role in determining the mechanical integrity and structural stability of electrodes. This study focuses on graphite as the working electrode and establishes an experimental system to investigate the mechanical properties of composite graphite electrode at different C-rates. Considering the effect of Li-ion concentration in stress analysis is found to be significant.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Zhiye Wang, Yunchuan Li, Mingjun Sun
Summary: This study investigates the influence of intramolecular pi-pi interactions on the electronic transport capabilities of molecules. By designing and analyzing three pi-conjugated molecules, the researchers observe that different pi-conjugated structures have varying effects on electron transport. The findings provide a theoretical foundation for designing single-molecule electronic devices with multiple electron channels based on intramolecular pi-pi interactions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Yuandong Xu, Haoyang Feng, Chaoyang Dong, Yuqing Yang, Meng Zhou, Yajun Wei, Hui Guo, Yaqing Wei, Jishan Su, Yingying Ben, Xia Zhang
Summary: Hollow MoS2 cubes and spheres were successfully synthesized using a one-step hydrothermal method with the hard template method. The hollow MoS2 cubes exhibited higher specific capacitance and energy density compared to the hollow MoS2 spheres. The symmetrical supercapacitors assembled with these hollow structures showed good performance and high capacity retention after multiple cycles. These findings suggest that controlling the pore structure and surface characteristics of MoS2 is crucial for enhancing its electrochemical properties.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Ainhoa Oliden-Sanchez, Rebeca Sola-Llano, Joaquin Perez-Pariente, Luis Gomez-Hortiguela, Virginia Martinez-Martinez
Summary: The combination of photoactive molecules and inorganic structures is important for the development of advanced materials in optics. In this study, bulky dyes were successfully encapsulated in a zeolitic framework, resulting in emission throughout the visible spectrum.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Miaomiao Zhang, Cunyuan Pei, Qiqi Xiang, Lintao Liu, Zhongxu Dai, Huijuan Ma, Shibing Ni
Summary: The design of a solid electrolyte interphase (SEI) plays a crucial role in improving the electrochemical performance of anode materials. In this study, lithium difluoro(oxalate)borate (LiDFOB) is used as an electrolyte additive to form a protective SEI film on Li3VO4 (LVO) anodes. The addition of LiDFOB results in a dense, uniform, stable, and LiF-richer SEI, which enhances the Li-ion storage kinetics. The generated SEI also prevents further decomposition of the electrolyte and maintains the morphology of LVO anodes during charge/discharge processes. This work demonstrates the effectiveness of LiDFOB as a multi-functional additive for LiPF6 electrolytes and provides insights into SEI construction for high-performance LVO anodes.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
B. V. Andryushechkin, T. V. Pavlova, V. M. Shevlyuga
Summary: The atomic structure of the Ag(111)-p(4 x 4)-O phase was reexamined and two phases with the same periodicity were discovered. It was demonstrated that the accepted Ag6 model is incompatible with high-resolution oxygen-sensitive STM images.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
S. L. Romo-Avila, D. Marquez-Ruiz, R. A. Guirado-Lopez
Summary: In this study, we used density functional theory (DFT) calculations to investigate the interaction between model graphene oxide (GO) nanostructures and chlorine monoxide ClO. We aimed to understand the role of this highly oxidizing species in breaking C-C bonds and forming significant holes on GO sheets. Our results showed that C-C bonds in a single graphene oxide sheet can be broken through a simple mechanism involving the dissociation of two chemically attached ClO molecules. The formation of carbonyl groups and holes on the GO surface was also observed. This study provides important insights into the degradation of carbon nanotubes and the stability of GO during the myeloperoxidase (MPO) catalytic cycle.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Alberto Garcia-Fernandez, Birgit Kammlander, Stefania Riva, Hakan Rensmo, Ute B. Cappel
Summary: In this study, the X-ray stability of five different lead halide perovskite compositions (MAPbI3, MAPbCl3, MAPbBr3, FAPbBr3, CsPbBr3) was investigated using photoelectron spectroscopy. Different degradation mechanisms and resistance to X-ray were observed depending on the crystal composition. Overall, perovskite compositions based on the MA+ cation were found to be less stable than those based on FA+ or Cs+. Metallic lead formation was most easily observed in the chloride perovskite, followed by bromide, and very little in MAPbI3. Multiple degradation processes were identified for the bromide compositions, including ion migration, formation of volatile and solid products, as well as metallic lead. CsBr was formed as a solid degradation product on the surface of CsPbBr3.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Timofei Rostilov, Vadim Ziborov, Alexander Dolgoborodov, Mikhail Kuskov
Summary: The shock-loading behavior of nanomaterials is investigated in this study. It is found that shock compaction waves exhibit a distinct two-step structure, with the formation of faster precursor waves that travel ahead of the main compaction waves. The complexity of the shock Hugoniot curve of the tested nanomaterial is described, and the effect of initial porosity on the compressed states is demonstrated.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Sergey S. Nikitin, Alexander D. Koryakov, Elizaveta A. Antipinskaya, Alexey A. Markov, Mikhail V. Patrakeev
Summary: The stability of La1/3Sr2/3Fe1-xMnxO3-delta, a perovskite-type oxide, under reducing conditions is dependent on the manganese content. Increasing the manganese content leads to a decrease in stability. The behavior of iron and manganese in the oxide shows distinct differences, which can be attributed to the difference in the enthalpy of oxidation reactions. Additionally, the change in the La/Sr ratio affects the concentration of iron and manganese ions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Mosayeb Naseri, Shirin Amirian, Mehrdad Faraji, Mohammad Abdur Rashid, Maicon Pierre Lourenco, Venkataraman Thangadurai, D. R. Salahub
Summary: Inspired by the successful transfer of freestanding ultrathin films of SrTiO3 and BiFeO3, this study assessed the structural stability and investigated the electronic, optical, and thermoelectric properties of a group of two-dimensional perovskite-type materials called perovskenes. The findings revealed that these materials are wide bandgap semiconductors with potential application in UV shielding. Moreover, they exhibit better electrical and thermal conductivity at high temperatures, enabling efficient power generation in thermoelectric devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)