Article
Materials Science, Multidisciplinary
S. A. Linnik, A. V. Gaydaychuk, A. S. Mitulinsky, S. P. Zenkin
Summary: A new technique using RF bias for enhanced nucleation of diamond on dielectric and weakly conductive substrates was developed, studying the influence of RF discharge power, methane concentration, and exposure duration on nucleation density. Comparative data of diamond nucleation on silicon and sapphire substrates were presented, showing the potential of achieving high nucleation density on dielectric substrates.
Article
Chemistry, Multidisciplinary
Weihua Wang, Bing Dai, Guoyang Shu, Yang Wang, Shishu Fang, Shilin Yang, Xuedong Liu, Benjian Liu, Ruibin Xue, Jiwen Zhao, Kang Liu, Lei Yang, Jiecai Han, Jiaqi Zhu
Summary: Diamond nucleation on iridium (001) substrates was investigated under different bias conditions, revealing that high-density epitaxial nucleation can be achieved in a narrow bias window. In bias-enhanced growth, the bias current initially decreases, then increases, indicating a competition mechanism between diamond nucleation and growth.
Article
Materials Science, Multidisciplinary
J. Delchevalrie, S. Saada, R. Bachelet, G. Saint-Girons, J. C. Arnault
Summary: The surface morphology and chemistry of epitaxial Ir/SrTiO3/Si(001) pseudo-substrates were systematically characterized before and after diamond Bias Enhanced Nucleation (BEN) using FE-SEM, AFM, and XPS. An ellipsometric model and sequential SE measurements allowed for estimation of surface roughening, amorphous carbon layer thickness, and domain coverage. It was demonstrated that SE is sensitive and discriminative enough to monitor the formation of domains and roughening of iridium surface distinctly.
DIAMOND AND RELATED MATERIALS
(2021)
Article
Nanoscience & Nanotechnology
Lillian B. Hughes, Zhiran Zhang, Chang Jin, Simon A. Meynell, Bingtian Ye, Weijie Wu, Zilin Wang, Emily J. Davis, Thomas E. Mates, Norman Y. Yao, Kunal Mukherjee, Ania C. Bleszynski C. Jayich
Summary: Using plasma-enhanced chemical vapor deposition epitaxial growth with delta-doping, we have successfully engineered dense 2D nitrogen and NV layers with a density of 1 ppm·nm. We characterized the density and dimensionality of the P1 and NV layers using traditional materials techniques and NV spin decoherence-based measurements. The P1 density was found to be between 5-10 ppm·nm, the NV density can be tuned to 1-3.5 ppm·nm by electron irradiation dosage, and the depth confinement of the spin layer is approximately 1.6 nm. We also observed a high ratio of NV to P1 centers up to 0.74 and reproducibly long NV coherence times, mainly influenced by dipolar interactions with the engineered P1 and NV spin baths.
Article
Chemistry, Multidisciplinary
Yueyun Weng, Gai Wu, Rubing Li, Liye Mei, Shubin Wei, Yifan Yao, Zhongxing Li, Du Wang, Sheng Liu, Cheng Lei
Summary: Diamond is an excellent semiconductor but defects formed during growth affect its performance. Optical time-stretch quantitative phase imaging (OTS-QPI) can effectively measure multiple parameters of diamond crystals at high speed and accuracy, potentially improving the quality and yield of diamond devices.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Chemistry, Physical
Jung-Min Cho, Hak-Joo Lee, Young-Jin Ko, Heon-Jin Choi, Young-Joon Baik, Gyu Weon Hwang, Jong-Keuk Park, Joon Young Kwak, Jaewook Kim, Jongkil Park, YeonJoo Jeong, Inho Kim, Kyeong-Seok Lee, Wook-Seong Lee
Summary: In this paper, we present a template-free approach for synthesizing a porous diamond layer using hot-filament chemical vapor deposition (HF-CVD). The key enabling factors were found to be the seeding of the substrate with detonation nanodiamond (DND) and the relatively low substrate temperature. The resulting porous layer consisted of quasi-spherical nanodiamond particles. We also demonstrated a preliminary application of the porous diamond layer as a waveguide in an attenuated-total-reflection (ATR)-type waveguide mode resonance sensor.
SURFACES AND INTERFACES
(2022)
Article
Chemistry, Physical
William G. S. Leigh, Evan L. H. Thomas, Jerome A. Cuenca, Soumen Mandal, Oliver A. Williams
Summary: This study developed an optical model using spectroscopic ellipsometry (SE) to monitor and optimize the critical early stages of polycrystalline diamond growth in real-time.
Article
Chemistry, Physical
William G. S. Leigh, Jerome A. Cuenca, Evan L. H. Thomas, Soumen Mandal, Oliver A. Williams
Summary: This study demonstrates an in-situ method of mapping substrate temperature under MPECVD growth conditions, and compares the temperature maps with simulated plasma electron densities. The results show an increase in temperature and simulated plasma density towards the center of the substrate holder. Properties of nanocrystalline diamond films, measured using ex-situ Raman spectroscopy and spectroscopic ellipsometry, also demonstrate the impact of substrate temperature inhomogeneity during growth.
Article
Chemistry, Physical
Anna Dychalska, Wojciech Koczorowski, Marek Trzcinski, Lidia Mosinska, Miroslaw Szybowicz
Summary: The study investigates the structural and chemical changes in diamond layers after post-growth treatment with hydrogen through Raman spectroscopy, SEM, and XPS measurements, focusing on the micro-structural properties of diamond layers with varying grain sizes and sp(2) carbon content. The impact of hydrogenation on the surface structure and chemical composition of diamond layers is examined, taking into account the polycrystalline nature and variations within CVD diamond layers. The study involves Raman spectroscopy analysis before and after hydrogen treatment near T-shape markers on the surface of each studied diamond layer to compare results.
Article
Materials Science, Multidisciplinary
Yiming Wang, Bing Zhou, Guoliang Ma, Jiaqi Zhi, Chao Yuan, Hui Sun, Yong Ma, Jie Gao, Yongsheng Wang, Shengwang Yu
Summary: The low TBReff at the GaN/diamond interface is crucial for high-power, high-frequency, and high-temperature GaN-on-diamond devices. This study proposed a bias enhanced nucleation technique to modulate TBReff by adjusting the nucleation of GaN/SiNx/diamond multilayer composites at different bias voltages. The results showed that the composite prepared under 700 V bias had the lowest TBReff, while the one prepared at 600 V bias had the highest TBReff.
MATERIALS CHARACTERIZATION
(2023)
Article
Materials Science, Composites
Yue Qin, Bo Wang, Xiao Hou, Linhong Li, Chunlong Guan, Zhongbin Pan, Maohua Li, Yuefeng Du, Yunxiang Lu, Xianzhe Wei, Shaoyang Xiong, Guichen Song, Chen Xue, Wen Dai, Cheng-Te Lin, Jian Yi, Nan Jiang, Jinhong Yu
Summary: Polymer composites with high thermal conductivity are in high demand for electronic packaging fields due to their light weight, easy process, and high chemical resistance. The development of a novel hybrid filler structure, similar to a Tanghulu-like structure, has shown to significantly enhance thermal conductivity and heat transportation performance in the polymer composites, representing a promising strategy for future applications in electronic packaging.
COMPOSITES COMMUNICATIONS
(2022)
Review
Chemistry, Multidisciplinary
Christopher L. Warkentin, Ziwei Yu, Arghya Sarkar, Renee R. Frontiera
Summary: Immediate action is needed on social, political, and industrial fronts to mitigate environmental pollution and climate change. Solar energy shows promise as a clean and renewable alternative for chemical synthesis. Plasmonic materials have emerged as candidates for driving industrially relevant chemistries, although more research is needed to fully understand their potential.
ACCOUNTS OF CHEMICAL RESEARCH
(2021)
Article
Chemistry, Physical
Egor Ukraintsev, Alexander Kromka, Wiebke Janssen, Ken Haenen, Daisuke Takeuchi, Petr Babor, Bohuslav Rezek
Summary: By surface treatment using electrochemically grown polypyrrole, the secondary-electron emission and photoelectron emission from boron-doped diamond are enhanced, surpassing the electron emission intensity from the hydrogen-terminated surface with negative electron affinity. This enhancement is stable for at least one month in air and persists in vacuum even after thermal annealing.
Article
Chemistry, Multidisciplinary
Krishna Moorthy Ponnusamy, Navanya Raveendran, Santhosh Durairaj, Senthil Kumar Eswaran, S. Chandramohan
Summary: Chemical vapor deposition (CVD) is used to synthesize 2D materials, and this study focuses on the phase transition of MoO3 and the growth of MoS2 under the influence of sulfur in a CVD process. The reduction of MoO3 to MoS2 through intermediate phases is discussed, and the nucleation of MoS2 is initiated by oxy-chalcogenide micro-particles. The findings are validated through various spectroscopic and microscopic analyses.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2023)
Article
Chemistry, Physical
Pantcho Stoyanov, Rolf Merz, Markus Stricker, Michael Kopnarski, Martin Dienwiebel
Summary: Through the use of an online macro-tribometer and a micro-tribometer in ultra-high vacuum, the interfacial processes of diamond/tungsten sliding contacts were evaluated. Tests showed low friction and wear rates for unlubricated tungsten sliding, with ex situ analysis indicating minimal bonding between the surfaces. The appearance of the wear track and higher roughness perpendicular to the sliding suggested abrasion as the main wear mechanism.
Article
Physics, Applied
Marie-Amandine Pinault-Thaury, Solange Temgoua, Remi Gillet, Hakima Bensalah, Ingrid Stenger, Francois Jomard, Riadh Issaoui, Julien Barjon
APPLIED PHYSICS LETTERS
(2019)
Article
Physics, Multidisciplinary
Leonard Schue, Lorenzo Sponza, Alexandre Plaud, Hakima Bensalah, Kenji Watanabe, Takashi Taniguchi, Francois Ducastelle, Annick Loiseau, Julien Barjon
PHYSICAL REVIEW LETTERS
(2019)
Article
Materials Science, Multidisciplinary
J. C. Arnault, K. H. Lee, J. Delchevalrie, J. Penuelas, L. Mehmel, O. Brinza, S. Temgoua, I Stenger, J. Letellier, G. Saint-Girons, R. Bachelet, R. Issaoui, A. Tallaire, J. Achard, J. Barjon, D. Eon, C. Ricolleau, S. Saada
DIAMOND AND RELATED MATERIALS
(2020)
Review
Materials Science, Multidisciplinary
Claudia Backes, Amr M. Abdelkader, Concepcion Alonso, Amandine Andrieux-Ledier, Raul Arenal, Jon Azpeitia, Nilanthy Balakrishnan, Luca Banszerus, Julien Barjon, Ruben Bartali, Sebastiano Bellani, Claire Berger, Reinhard Berger, M. M. Bernal Ortega, Carlo Bernard, Peter H. Beton, Andre Beyer, Alberto Bianco, Peter Boggild, Francesco Bonaccorso, Gabriela Borin Barin, Cristina Botas, Rebeca A. Bueno, Daniel Carriazo, Andres Castellanos-Gomez, Meganne Christian, Artur Ciesielski, Tymoteusz Ciuk, Matthew T. Cole, Jonathan Coleman, Camilla Coletti, Luigi Crema, Huanyao Cun, Daniela Dasler, Domenico De Fazio, Noel Diez, Simon Drieschner, Georg S. Duesberg, Roman Fasel, Xinliang Feng, Alberto Fina, Stiven Forti, Costas Galiotis, Giovanni Garberoglio, Jorge M. Garcia, Jose Antonio Garrido, Marco Gibertini, Armin Goelzhaeuser, Julio Gomez, Thomas Greber, Frank Hauke, Adrian Hemmi, Irene Hernandez-Rodriguez, Andreas Hirsch, Stephen A. Hodge, Yves Huttel, Peter U. Jepsen, Ignacio Jimenez, Ute Kaiser, Tommi Kaplas, HoKwon Kim, Andras Kis, Konstantinos Papagelis, Kostas Kostarelos, Aleksandra Krajewska, Kangho Lee, Changfeng Li, Harri Lipsanen, Andrea Liscio, Martin R. Lohe, Annick Loiseau, Lucia Lombardi, Maria Francisca Lopez, Oliver Martin, Cristina Martin, Lidia Martinez, Jose Angel Martin-Gago, Jose Ignacio Martinez, Nicola Marzari, Alvaro Mayoral, John McManus, Manuela Melucci, Javier Mendez, Cesar Merino, Pablo Merino, Andreas P. Meyer, Elisa Miniussi, Vaidotas Miseikis, Neeraj Mishra, Vittorio Morandi, Carmen Munuera, Roberto Munoz, Hugo Nolan, Luca Ortolani, Anna K. Ott, Irene Palacio, Vincenzo Palermo, John Parthenios, Iwona Pasternak, Amalia Patane, Maurizio Prato, Henri Prevost, Vladimir Prudkovskiy, Nicola Pugno, Teofilo Rojo, Antonio Rossi, Pascal Ruffieux, Paolo Samori, Leonard Schue, Eki Setijadi, Thomas Seyller, Giorgio Speranza, Christoph Stampfer, Ingrid Stenger, Wlodek Strupinski, Yuri Svirko, Simone Taioli, Kenneth B. K. Teo, Matteo Testi, Flavia Tomarchio, Mauro Tortello, Emanuele Treossi, Andrey Turchanin, Ester Vazquez, Elvira Villaro, Patrick R. Whelan, Zhenyuan Xia, Rositza Yakimova, Sheng Yang, G. Reza Yazdi, Chanyoung Yim, Duhee Yoon, Xianghui Zhang, Xiaodong Zhuang, Luigi Colombo, Andrea C. Ferrari, Mar Garcia-Hernandez
Article
Materials Science, Multidisciplinary
Vincent Sallet, Corinne Sartel, Christophe Arnold, Said Hassani, Christele Vilar, Gaelle Amiri, Alain Lusson, Pierre Galtier, Julien Barjon, Karine Masenelli-Varlot, Bruno Masenelli
PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS
(2020)
Article
Materials Science, Multidisciplinary
J. Sonntag, J. Li, A. Plaud, A. Loiseau, J. Barjon, J. H. Edgar, C. Stampfer
Article
Materials Science, Multidisciplinary
H. Prevost, A. Andrieux-Ledier, N. Dorval, F. Fossard, J. S. Merot, L. Schue, A. Plaud, E. Heripre, J. Barjon, A. Loiseau
Article
Materials Science, Multidisciplinary
E. Carre, L. Sponza, A. Lusson, I Stenger, E. Gaufres, A. Loiseau, J. Barjon
Summary: This study investigates the infrared photoluminescence of black phosphorus single crystals at very low temperatures, identifying dominant excitonic transitions at 0.276 eV and a weaker one at 0.278 eV. The free-exciton binding energy is calculated to be 9.1 meV. Analysis shows that the PL intensity quenching of the 0.276 eV peak at high temperature is attributed to the localization of free excitons on a shallow impurity. Ultimately, the value of bulk black phosphorus bandgap is refined to 0.287 eV at 2 K.
Article
Physics, Applied
N. Temahuki, F. Jomard, A. Lusson, I. Stenger, S. Hassani, J. Chevallier, J. M. Chauveau, C. Morhain, J. Barjon
Summary: Deuterium diffusion is investigated in nitrogen-doped homoepitaxial ZnO layers, where the penetration depth of deuterium decreases with increasing nitrogen concentration, indicating a diffusion mechanism limited by the trapping of deuterium on a nitrogen-related trap. The capture radius of the nitrogen-related trap is determined to be 20 times smaller than expected, and the (N-2)(O) deep donor is proposed as the trapping site for deuterium. This defect is found to be the N-related defect with the highest concentration in the studied samples.
APPLIED PHYSICS LETTERS
(2021)
Article
Physics, Applied
I. Stenger, M. -A. Pinault-Thaury, N. Temahuki, R. Gillet, S. Temgoua, H. Bensalah, E. Chikoidze, Y. Dumont, J. Barjon
Summary: This study investigates electron transport in n-type diamond using phosphorus-doped (100) homoepitaxial layers in the range of 10^16-10^18 cm^-3. The electrical properties of the n-type layers, including electron concentration and mobility, were measured as a function of temperature. Modeling of electron scattering in diamond for the (100) orientation, which is favored for electronic device applications, was carried out. The physical parameters extracted from experimental data fitting provide insight into the upper limit for electron mobility in (100) n-type diamond.
JOURNAL OF APPLIED PHYSICS
(2021)
Article
Materials Science, Multidisciplinary
Christoph Schreyvogel, Solange Temgoua, Christian Giese, Volker Cimalla, Julien Barjon, Christoph. E. Nebel
Summary: The technological process involves catalytic etching and phosphorus-doped diamond growth on (100) single-crystalline diamond substrates to fabricate n-type doped V-shaped structures, effectively increasing the doping concentration on the diamond surface.
PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE
(2021)
Article
Chemistry, Physical
Marie-Amandine Pinault-Thaury, Ingrid Stenger, Remi Gillet, Solange Temgoua, Ekaterina Chikoidze, Yves Dumont, Francois Jomard, Thierry Kociniewski, Julien Barjon
Summary: This study reveals the superior electrical properties of phosphorus-doped (113) diamond homoepilayer, showing higher electron mobility compared to (100) and (111) homoepilayers under similar phosphorus content conditions. The (113) diamond orientation demonstrates attractive characteristics for n-type doping.
Article
Multidisciplinary Sciences
Clarisse Fournier, Alexandre Plaud, Sebastien Roux, Aurelie Pierret, Michael Rosticher, Kenji Watanabe, Takashi Taniguchi, Stephanie Buil, Xavier Quelin, Julien Barjon, Jean-Pierre Hermier, Aymeric Delteil
Summary: Researchers demonstrate the generation of SPE ensembles with enhanced spatial accuracy and emission reproducibility in high purity synthetic hBN using an electron beam, marking a significant step towards accurate control of the spatial location and emission wavelength of SPEs in van der Waals materials.
NATURE COMMUNICATIONS
(2021)
Article
Materials Science, Multidisciplinary
Yoshiki Kubo, Mitsuyoshi Takahata, Solange Temgoua, Riadh Issaoui, Julien Barjon, Nobuko Naka
Proceedings Paper
Engineering, Electrical & Electronic
Julien Barjon, Alexandre Plaud, Lorenzo Sponza, Leonard Schue, Ingrid Stenger, Frederic Fossard, Kenji Watanabe, Takashi Taniguchi, Francois Ducastelle, Annick Loiseau
2019 COMPOUND SEMICONDUCTOR WEEK (CSW)
(2019)
Article
Chemistry, Physical
Erhao Gao, Wenjing Feng, Qi Jin, Li Han, Yi He
Summary: The influence of K-doping on the reactive oxygen species and elementary reactions of HCHO catalytic oxidation was investigated using density functional theory (DFT). The introduction of K-doping changed the electronic structures of Ce and O, facilitating the adsorption and activation of HCHO and O2 molecules, enhancing lattice oxygen mobility, and reducing the energy barrier for HCHO oxidation. K-doping also promoted the formation of hydroxyl groups, facilitating HCHO adsorption and oxidation.
Article
Chemistry, Physical
Hao Fu, Zhangliang Xu
Summary: In this study, the adsorption mechanisms and detection performance of formaldehyde, ammonia, and sulfur dioxide on undoped and metal-doped ZnO surfaces were investigated using density functional theory. The results showed that formaldehyde and ammonia were physically adsorbed on the undoped ZnO surface, while sulfur dioxide was weakly chemisorbed. The adsorption energy was enhanced when ZnO was doped with metals. These findings provide theoretical guidance for the application of ZnO substrate materials in gas sensitivity research.
Article
Chemistry, Physical
Atsushi Nomura, Tohru Kurosawa, Migaku Oda, Satoshi Demura, Shogo Kuwahara, Sora Kobayashi, Hideaki Sakata
Summary: The study investigates the tunneling spectra of 1T-TiSe2 in the CDW state and the dip structure below the Fermi level, aiming to determine whether this dip is a CDW gap. The answer to this question is crucial for understanding the driving mechanism of CDW.
Article
Chemistry, Physical
A. S. Petrov, D. I. Rogilo, A. I. Vergules, V. G. Mansurov, D. V. Sheglov, A. V. Latyshev
Summary: This study investigates Si mass transport and morphological transformations on the Si(111) surface during (root 3 x root 3)-Sn reconstruction formation and Si homoepitaxy. The research shows that the formation of different Sn phases at different temperatures affects the Si island nucleation and monatomic step shift, which in turn impact the morphology of the Sn/Si(111) interface. Electromigration-induced drift of disordered Sn domains leads to enhanced noncompensated Si mass transport and surface roughening.
Article
Chemistry, Physical
D. V. Gruznev, L. V. Bondarenko, A. Y. Tupchaya, A. A. Yakovlev, A. N. Mihalyuk, A. V. Zotov, A. A. Saranin
Summary: Deposition of thallium (Tl) onto the Au/Si(111)5 x 2 reconstruction followed by annealing results in the formation of a surface structure with 4 x 2 periodicity. The immiscibility of Au and Tl leads to the migration of Tl atoms over the Si chains. Thallium donates electrons to the surface, converting the metallic surface into an insulating state and altering the inter-chain distance within the array of Au atomic wires.
Article
Chemistry, Physical
Simone Giusepponi, Francesco Buonocore, Barbara Ferrucci, Massimo Celino
Summary: Using ab-initio calculations, the interaction between lead adatom and both clean and doped iron (100) surfaces was investigated. It was found that the lead adatom prefers to adsorb in the hollow site, which is more stable compared to the top and bridge sites, and in this position, it is energetically favorable over the iron adatom. Moreover, lead adsorbed in the hollow site of the iron (100) surface doped with chromium was found to create a more stable system compared to nickel-doped surfaces with an iron adatom in the same position. The study also explored inter-layer distances, bonding mechanisms, magnetic behaviors, and charge density differences. The results provide insights into the role of doping in the interaction between lead adatom and iron surface, and have implications for the analysis of corrosion processes caused by liquid lead.
Article
Chemistry, Physical
Shuo Zhang, Jin-Ho Choi
Summary: The recent synthesis of two-dimensional layered WSi2N4 has attracted attention due to its potential applications. This study investigates the catalytic performance of WSi2N4 monolayers with nitrogen vacancies in the hydrogen evolution reaction using first-principles calculations. The results show that the defective WSi2N4 monolayers exhibit remarkably high catalytic activity comparable to platinum catalysts. Electronic structure calculations also reveal the emergence of spin-polarized states due to the introduction of nitrogen vacancies.
Article
Chemistry, Physical
Xiaoyan Yu, Xin Cao, Wei Kang, Shanhua Chen, Ao Jiang, Yuhao Luo, Wenwei Deng
Summary: First-principles calculations were used to investigate the electronic properties of a TiO2 heterostructure modified with Bi2Te3 co-catalyst. The study revealed that the Bi2Te3/TiO2 interface introduced optimal band offsets, effectively suppressing electron-hole recombination and enhancing the utilization efficiency of photo-generated carriers. Additionally, the Bi2Te3 co-catalyst introduced extra catalytic active sites, further boosting the photo-catalytic hydrogen evolution efficiency.
Article
Chemistry, Physical
Filippo Longo, Emanuel Billeter, Selim Kazaz, Alessia Cesarini, Marin Nikolic, Aarati Chacko, Patrik Schmutz, Zbynek Novotny, Andreas Borgschulte
Summary: Alkaline water electrolysis is a simple and efficient method for renewable hydrogen production, utilizing cheap and abundant transition metals. The catalytic properties of Ni materials are enhanced by the formation of oxidized compounds on the surface. The high electrocatalytic activity of Ni (oxy)-hydroxides is directly related to water intercalation in the passivation layer, supporting the hypothesis of a water mediated OH- diffusion mechanism. The self-organization of the surface structure during passivation layer formation enables high electrode performance.
Article
Chemistry, Physical
Mohan Kumar Kuntumalla, Miriam Fischer, Alon Hoffman
Summary: By investigating the bonding, retention, and thermal stability of nitrogen in H-Diamond (100), it was found that nitrogen can partially recover its bonding with carbon atoms after high-temperature annealing, indicating a high thermal stability of nitrogen in diamond.
Article
Chemistry, Physical
Dong Yue, Liangying Wen, Rong Chen, Jianxin Wang, Zhongqing Yang
Summary: The adsorption behavior of Cl2 molecules on the TiC surface and the formation and transfer of reaction products were studied using first-principles ab initio calculations. The results show that the Cl atoms bonded to the surface Ti atoms are more stable, and the TiCl3 intermediate is easier to form than the TiCl2 intermediate.
Article
Chemistry, Physical
Yatao Wang, Peng Zhang, Hongjuan Li, Qiuju Xu, Shujun Liu, Xiaopeng Liu, Xuehua Guo, Yitao Li, Jinzhang Liu, Sen Dong, Zhi Wei Seh, Qianfan Zhang
Summary: In this study, the adsorption performance of two types of metal-organic frameworks (MOFs) for thiophene and benzene was experimentally investigated. The results showed that IZE-1 exhibited high selectivity and superior adsorption capacity for thiophene, especially at low concentrations. First-principles calculations and molecular dynamics simulations provided insights into the mechanism of thiophene adsorption and the high selectivity observed. This research demonstrates the potential of MOFs for thiophene adsorption, particularly at high concentrations.
