Article
Chemistry, Physical
Yinsheng Yu, Xinyu Xie, Songzhen Tang
Summary: This study establishes the microstructures of pressure-driven seawater desalination based on a porous graphene membrane and investigates its desalination performance through molecular dynamics simulations. The results show that the desalination efficiency can be improved by increasing the external pressure, graphene pore diameter, and temperature.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Nanoscience & Nanotechnology
William Toh, Elisa Yun Mei Ang, Teng Yong Ng, Rongming Lin, Zishun Liu
Summary: A double-layer graphene slit membrane is proposed as a solution to reduce fouling caused by nanoplastic particles in graphene membranes. Molecular dynamics simulations show that the addition of a secondary membrane significantly reduces fouling and improves permeability.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Chemistry, Physical
Yuan Gao, Weiqiang Chen, Yanming Liu, Jiangyu Wu, Hongwen Jing
Summary: The study reveals the potential of graphene kirigami (GK) as an ultra-permeable membrane for water desalination. The GK membrane demonstrates superior performance in water permeance, surpassing 103 L/m2/h/bar with complete salt rejection. The unique geometry of the kirigami structure reduces energy barrier and guides water molecules for more efficient filtration. Compared to nanoporous graphene and conventional reverse osmosis membranes, the theoretical efficiency of water permeance using GK membrane is significantly higher. Moreover, GK membranes can be mechanically deformed for practical applications.
Article
Engineering, Chemical
Y. Pathania, Gaganpreet
Summary: Molecular dynamics simulations were used to investigate the mechanism of water transport and ions movement across nanoporous phosphorene for water desalination. The desalination performance is strongly influenced by structure of nanopore such as size, shape, water-membrane interaction and applied pressure.
Article
Engineering, Chemical
Yixiang Li, Yang Liu, Yanmei Yang, Yong-Qiang Li, Mingwen Zhao, Weifeng Li, Yuanyuan Qu
Summary: The study demonstrates that layered black phosphorus can be an efficient membrane for seawater desalination, with nano-channels effectively blocking ionic passage. Defects in the membrane have little impact on water filtration performance, indicating the robustness of the black phosphorus-based nano-channels.
Article
Engineering, Chemical
Xinyao Ma, Xiaohong Zhu, Changxiong Huang, Jun Fan
Summary: This study evaluated the desalination performance of Ti3C2TX nanoslits using molecular dynamics methods, and discussed the factors influencing their performance, including the termination group, slit width, temperature, pressure, and thickness. Simulation results showed that MXene nanoslit exhibits excellent desalination performance due to its charge features. The increase of slit width, temperature, and pressure all promote water permeance but deteriorate ion rejection performance, while the termination groups can mediate the tradeoff between water flux and ion rejection rate. Increasing MXene layer number effectively improves the desalination performance by considering both water flux and ion rejection performance. This work provides valuable suggestions for the design of water desalination membranes with exceptional performance by manipulating the electrostatic properties of membranes.
Article
Engineering, Chemical
Zonglin Gu, Mengru Duan, Yusong Tu
Summary: The study successfully designs a RO membrane composed of fluorinated graphene nanochannels using molecular dynamics simulation, achieving high water permeation and almost complete ion rejection. The unique desalination performance of the F-GRA channels is attributed to their negatively charged surface, hydrophobicity, and low water friction, making them more promising than other nanomaterials. Additionally, calculations show that water molecules have a lower free energy barrier than ions when passing through the F-GRA channels, indicating a favorable water transport energetically.
Article
Chemistry, Physical
Yichang Liu, Jie Wei, Meiqin Cai, Lizhi Jiang, Lin Liu, Jinyu Li
Summary: Two-dimensional nanoporous membranes are promising for seawater desalination. This study investigates the influence of nanopore charge modification on water permeability and ions conduction. The results show that the highest water permeability is observed when the modification is approximately 0.25e. Positively charged nanopores effectively impede cation permeation and impact the diffusion behavior of anions. This work provides insights into the mechanism of saline water transport through charge-modified nanopores and emphasizes the importance of nanopore charge states for desalination.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Engineering, Chemical
Xinyao Ma, Xiaohong Zhu, Changxiong Huang, Jun Fan
Summary: The effects of termination group of MXene membrane on its water desalination performance were investigated using molecular dynamics simulation. The simulation results showed that the surface charge features and hydrogen bond interactions significantly influenced the interactions between termination group and water. The water permeability through MXene channel with different surface terminations followed the order of F > O > OH, and the charge nature of surface terminations played a vital role in their interactions with ions.
JOURNAL OF MEMBRANE SCIENCE
(2022)
Article
Engineering, Chemical
Yi Liu, Xin-ping Wang, Zi-ao Zong, Rijia Lin, Xiao-yin Zhang, Fu-shan Chen, Wan-de Ding, Li-li Zhang, Xiang-min Meng, Jingwei Hou
Summary: In this study, a high-performance TFN membrane was fabricated by modifying the surface of polysulfone (PSF) substrate with embedded ultrasonically exfoliated nickel-based 2D-MOF nanosheet. The modified TFN membrane exhibited higher water permeability and good salt rejection compared to the pristine TFC membrane. It also showed excellent anti-fouling properties against humic acid contamination.
JOURNAL OF MEMBRANE SCIENCE
(2022)
Article
Engineering, Chemical
Yixiang Li, Yang Liu, Yanmei Yang, Yong-Qiang Li, Mingwen Zhao, Weifeng Li, Yuanyuan Qu
Summary: Through molecular dynamics simulations, it was shown that the newly synthesized layer-stacked phosphorus carbide membrane can serve as a highly efficient filter for water desalination. The membrane exhibits high water permeability and salt blocking capability, with anisotropic water permeability attributed to differences in ionic rejection and water transport energy barriers.
Article
Nanoscience & Nanotechnology
William Toh, Elisa Yun Mei Ang, Rongming Lin, Zishun Liu, Teng Yong Ng
Summary: By conducting molecular dynamics simulations, this study investigates the performance of multilayer graphene slit membranes in desalination. It is shown that multilayer slit membranes have the potential to offer improved permeability and outstanding salt rejection. The membrane's permeability can be enhanced by increasing the width of the slits and utilizing a multilayer structure. The flow resistance analysis of the membrane as a combination of electrical resistors in series facilitates the design process of future multilayer membranes.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Engineering, Chemical
T. M. Subrahmanya, Jing-Yang Lin, Januar Widakdo, Hannah Faye M. Austria, Yu-Hsuan Chiao, Tsung-Han Huang, Wei -Song Hung, Hideto Matsuyama, Kueir-Rarn Lee, Juin-Yih Lai
Summary: TFN membranes were synthesized by adding different functionalized nano-diamonds and surfactant mediation to enhance their performance. The addition of functionalized NDs improved the surface properties and crosslinking degree of the membranes, resulting in increased water flux and salt rejection. The addition of SDS further improved the membrane performance, leading to increased water flux and MgSO4 rejection. Overall, the addition of SDS improved the stability and performance of the TFN membranes, making them suitable for nanofiltration applications.
Article
Engineering, Chemical
Muxing Zhang, Bo Sun, Ailian Luo, Shifang Huang, Xiaosong Zhang
Summary: A direct air dehumidification method based on electrodialysis principle was proposed, with simulations showing a significant increase in water molecules diffusion coefficient on a double-layered nanoporous graphene oxide membrane under external electric field.
SEPARATION AND PURIFICATION TECHNOLOGY
(2021)
Article
Engineering, Chemical
Zhi Chien Ng, Woei Jye Lau, Kar Chun Wong, Mohammad A. Al-Ghouti, Ahmad Fauzi Ismail
Summary: The study developed PEI-interlayered thin film nanocomposite membranes for reverse osmosis process by adjusting parameters during the PEI coating process to improve desalination performance. The synergistic effects of PEI and GO were found essential in enhancing the membrane performance.
SEPARATION AND PURIFICATION TECHNOLOGY
(2021)
Article
Chemistry, Multidisciplinary
Ziyang Wang, Jiarong Ye, Kunyan Zhang, Li Ding, Tomotaroh Granzier-Nakajima, Jeewan C. Ranasinghe, Yuan Xue, Shubhang Sharma, Isabelle Biase, Mauricio Terrones, Se Hoon Choi, Chongzhao Ran, Rudolph E. Tanzi, Sharon X. Huang, Can Zhang, Shengxi Huang
Summary: The study introduces a platform that utilizes graphene-assisted Raman spectroscopy and machine learning to rapidly screen Alzheimer's disease (AD) biomarkers in transgenic animal brains. By contacting monolayer graphene with brain slices, the accuracy of machine learning classification is significantly improved. The study also identifies AD biomarkers based on spectral feature importance map, providing important insights for AD research.
Article
Chemistry, Multidisciplinary
Ryan Selhorst, Zhuohang Yu, David Moore, Jie Jiang, Michael A. Susner, Nicholas R. Glavin, Ruth Pachter, Mauricio Terrones, Benji Maruyama, Rahul Rao
Summary: Layered Transition Metal Dichalcogenides (TMDs) are important materials with a diverse range of optoelectronic properties. This study investigates the spatial tailoring of TMDs through electron-beam patterning, achieving high resolution and demonstrating potential for nanoscale functionalization. The modulated properties were found to be dependent on various parameters, and the results were confirmed through spectroscopic analysis and density functional theory modeling. This research provides a robust method for property modulation and functionalization of TMDs at the nanoscale.
Editorial Material
Chemistry, Physical
Nianjun Yang, Mauricio Terrones
Article
Chemistry, Multidisciplinary
Min Fu, Wei Chen, Yu Lei, Hao Yu, Yuxiao Lin, Mauricio Terrones
Summary: A general biomimetic mineralization synthetic strategy was proposed to synthesize ferrite quantum dot/graphene heterostructures. The optimized heterostructure exhibited exceptional capacitance and cycling performance, indicating its potential as advanced electrode materials for supercapacitors.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Inorganic & Nuclear
Katherine L. Thompson, Rowan R. Katzbaer, Mauricio Terrones, Raymond E. Schaak
Summary: Ion exchange reactions of colloidal nanoparticles allow for modification of composition while maintaining morphology and crystal structure, which is crucial for tuning properties and producing otherwise inaccessible materials. In this study, tellurium anion exchange of copper selenide nanoparticles was conducted, resulting in the formation of solid solutions with tunable compositions. The post-exchange reactivity of the solid solution nanoparticles, including transformation of composition, surface chemistry, and colloidal dispersibility, was observed due to the apparent metastability of the product.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Physical
Jie Fang, Suichu Huang, Kan Yao, Tianyi Zhang, Mauricio Terrones, Wentao Huang, Yunlu Pan, Yuebing Zheng
Summary: Tunable exciton-photon couplings have been demonstrated in monolayer TMDs, showing strong bright-exciton-photon couplings and revealing the novel interactions between bright and dark exciton-photon hybrids in a single optical cavity. The waveguide mode can be tuned in wavelengths by controlling the spacer thickness, and the relative contribution from the antenna mode coupled with dark excitons can be dynamically enlarged by increasing the excitation angle. This study opens new possibilities in tunable QED and provides insights into the coexistence of bright and dark exciton-photon couplings.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Polymer Science
Andres Castro-Beltran, Clemente G. Alvarado-Beltran, Jesus F. Lara-Sanchez, Wencel de la Cruz, Felipe F. Castillon-Barraza, Rodolfo Cruz-Silva
Summary: The adhesion of polypyrrole to indium-tin oxide electrodes was enhanced by adding pre-hydrolyzed alkoxysilanes to the electrodeposition media. The pyrrole oxidation and film growth rates were investigated by potentiostatic polymerization in acidic media. The morphology and thickness of the films were characterized using contact profilometry and surface-scanning electron microscopy. Fourier-transform infrared spectroscopy and X-ray photoelectron spectroscopy were employed to analyze the bulk and surface semiquantitative chemical composition. Scotch-tape adhesion test revealed a significant improvement in adhesion with both alkoxysilanes, suggesting the formation of siloxane material and in situ surface modification of the transparent metal oxide electrode.
Article
Chemistry, Multidisciplinary
Pouria Fattahi, Yin-Ting Yeh, Tiankai Zhao, Mousa Younesi, Changjin Huang, Mauricio Terrones, Siyang Zheng, Justin L. Brown, Dan Dongeun Huh, Sulin Zhang, Peter J. Butler
Summary: Endothelial cells (ECs) exhibit different shapes and mechanical properties depending on the flow in their environment, and these factors affect the uptake of therapeutic nanoparticles (NPs). Cells with elongated shape and higher stiffness show higher uptake of NPs, while those with polygonal shape and lower stiffness show lower uptake. The elongated cells in areas of high laminar shear exhibit less NP uptake compared to nonelongated cells in chaotic, lower shear areas. These findings suggest that manipulating the morphology and mechanical properties of ECs can enhance the uptake of therapeutic NPs for preventing atherosclerosis.
ADVANCED MATERIALS INTERFACES
(2023)
Article
Chemistry, Physical
Shannon McGee, Andres Fest, Cierra Chandler, Nabila N. Nova, Yu Lei, James Goff, Susan B. Sinnott, Ismaila Dabo, Mauricio Terrones, Lauren D. Zarzar
Summary: In this study, we synthesized multimetal catalysts using a laser synthesis method and found that adding a small amount of chromium to the catalyst can enhance the hydrogen evolution efficiency. This research provides new insights for future electrocatalytic design.
ACS APPLIED ENERGY MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Aaryan Oberoi, Ying Han, Sergei P. Stepanoff, Andrew Pannone, Yongwen Sun, Yu-Chuan Lin, Chen Chen, Jeffrey R. Shallenberger, Da Zhou, Mauricio Terrones, Joan M. Redwing, Joshua A. Robinson, Douglas E. Wolfe, Yang Yang, Saptarshi Das
Summary: This study presents a three-pronged approach to achieve high-performance p-type FETs based on synthetic WSe2, including contact engineering, channel length scaling, and monolayer doping. By using Pd as the contact metal and monolayer WOxSey as the p-type dopant, the ON-state performance of the FETs was significantly improved and the contact resistance was reduced.
Article
Engineering, Chemical
J. L. Fajardo-Diaz, K. Takeuchi, A. Morelos-Gomez, R. Cruz-Silva, A. Yamanaka, S. Tejima, K. Izu, S. Saito, I. Ito, J. Maeda, M. Endo
Summary: Nanocomposite membranes based on CNTs and CNFs integrated into a PA membrane showed high boron rejection and permeation. The chemical structure and surface morphology played significant roles in boron rejection, while pore structure affected both sodium chloride and boron rejections. Molecular dynamic simulations revealed that CNF and CNT structures suppressed hydrogen bonding between PA matrix and boric acid, negatively affecting diffusion and rejection. These findings contribute to a better understanding of boron rejection mechanisms and the development of PA membranes.
JOURNAL OF MEMBRANE SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Jie Fang, Kan Yao, Mingsong Wang, Zhuohang Yu, Tianyi Zhang, Taizhi Jiang, Suichu Huang, Brian A. Korgel, Mauricio Terrones, Andrea Alu, Yuebing Zheng
Summary: In this study, we achieved on-demand exciton-polariton emission from a wide range of TMDs at room temperature by hybridizing excitons with broadband Mie resonances. The system demonstrated stable polaritonic photoluminescence and multiple Rabi splittings.
Article
Materials Science, Multidisciplinary
Gowtham Polumati, Barbara A. Muniz Martinez, Chandra Sekhar Reddy Kolli, Venkatarao Selamneni, Mario Flores Salazar, David Emanuel Sanchez, Andres Fest Carreno, Mauricio Terrones, Andres De Luna Bugallo, Parikshit Sahatiya
Summary: This work demonstrates the band-type engineering and charge transport mechanism of vertically stacked monolayers of MoS2-ReS2 under visible light illumination. The study investigates the impact of stacking order on band alignment and validates the formation of the vertically stacked heterostructure. The results show the significant role of stacking configuration in the optoelectronic properties.
Article
Chemistry, Multidisciplinary
Victor Carozo, Bruno R. Carvalho, Syed Hamza Safeer, Leandro Seixas, Pedro Venezuela, Mauricio Terrones
Summary: We investigated the electronic and phonon properties of few-layered Bi2Te3 systems with different layer thicknesses using Raman spectroscopy and first-principles calculations. The main Raman modes showed frequency dispersion and changes in intensity and lineshape with the variation of layer thickness and excitation energy. Resonant Raman conditions were reached for certain thicknesses due to van Hove singularities at the electronic density of states. Our results demonstrate the significant influence of layer numbers on the Raman scattering mechanics in Bi2Te3 systems.
NANOSCALE ADVANCES
(2023)
Article
Engineering, Environmental
Kenji Takeuchi, Rodolfo Cruz-Silva, Masatsugu Fujishige, Naomi Yanagisawa, Hidenori Kitazawa, Jun Maeda, Morinobu Endo
Summary: By adjusting the preparation conditions of the PSU support, we successfully prepared a highly efficient reverse osmosis membrane with excellent salt rejection rate and water permeability.
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING
(2022)
