Article
Chemistry, Physical
Hao Guo, Sai An, Chunliu Li, Guangzhao Wang, Xiufeng Lang, Xiaobao Tian
Summary: In this study, the mechanical and electronic properties of a group of van der Waals heterostructures (vdWHs) stacked by the MX (GeSe, GeTe, SnS, and SnSe) and YTe monolayers were systematically investigated through density functional theory. The most stable geometry structures were determined, and the vdWHs exhibited excellent mechanical stability with anisotropic Young's moduli. Additionally, different types of contact behavior were observed in the vdWHs, and the transition of one type of contact to another was demonstrated.
SURFACES AND INTERFACES
(2023)
Article
Chemistry, Physical
Surabhi Suresh Nair, Muhammad Sajjad, Kanishka Biswas, Nirpendra Singh
Summary: This study proposes two-dimensional γ-monochalcogenide (MX; M = Ge, Sn, Pb, and X = S, Se, Te) monolayers as potential thermoelectric materials and discovers anomalous behavior in their thermal conductivity. The γ-PbTe monolayer exhibits an ultralow thermal conductivity and provides valuable insights for designing efficient thermoelectric materials.
ACS APPLIED ENERGY MATERIALS
(2023)
Article
Physics, Applied
Heng Lei, Tao Ouyang, Chaoyu He, Jin Li, Chao Tang
Summary: In this study, a new configuration for monolayer MX called T-phase, which has bonding features similar to the alpha-phase, is proposed. It is found to be an excellent piezoelectric phase for monolayer MX, with a larger piezoelectric coefficient than most two-dimensional binary compounds in the alpha-phase. The distinctive puckered configuration of T-MX contributes to its high piezoelectric coefficients, offering potential for designing high piezoelectric coefficient materials and future applications in energy collection and nanoelectromechanical systems.
APPLIED PHYSICS LETTERS
(2023)
Article
Chemistry, Physical
Patric Berger, Hans Flandorfer
Summary: Lithium containing alloy systems, especially the ternary Li-Sb-Sn system, are studied as potential electrode materials for lithium ion batteries. Experimental results show that SbSn can uptake up to 15 at.% Li, forming Li3Sb and confirming the ternary phase Li8SbxSn3-x.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Physics, Multidisciplinary
Maurice Franck Kenmogne Ndjoko, Bi-Dan Guo, Yin-Hui Peng, Yu-Jun Zhao
Summary: In this study, the ferroelectric properties of monolayer group-IV monochalcogenides MX (M=Sn, Ge; X=Se, Te, S) were investigated through strain engineering, and the effects of contaminated hydrogen were discussed. It was found that the band gap of these materials can be adjusted by strain for excellent photovoltaic applications. Additionally, the most stable hydrogen occupancy location in the monolayer SnS and SnTe was determined, and it was revealed that hydrogen molecules have little effect on the polarization and electronic structure of these materials.
Article
Chemistry, Physical
Lingling Lv, Yanqing Shen, Jiajia Liu, Xu Gao, Min Zhou, Yu Zhang, Xianghui Meng, Xin Yang, Dewei Gong, Yangdong Zheng, Zhongxiang Zhou
Summary: A new series of MX (M = Au, Ag; X = S, Se, Te) single layers with stable properties and superior light absorption abilities are predicted and confirmed. These MX monolayers, which possess indirect bandgaps and high carrier mobilities, show potential as photocatalytic OER agents, with AuSe exhibiting the best performance. Additionally, they have the potential for wide applications in optoelectronic devices due to their excellent light capture performances.
APPLIED SURFACE SCIENCE
(2022)
Article
Chemistry, Multidisciplinary
Yuhua Yang, Yecheng Dong, Ziwei Zhang, Zhichao Xi, Junhuai Xiang, Xiaohua Ouyang, Tingting Wang, Li Qiu, Jun Zhou
Summary: The paper focuses on the research of lithium ion batteries, emphasizing on the importance of long life, high capacity, environmental friendliness, and good rate performance. Sn-carbon composite electrode materials are prepared using Dunaliella Salinas as a precursor, showing excellent performance as a LIB anode.
Article
Chemistry, Physical
Yongsheng Yao, Juexian Cao, Wenjin Yin, Qi Zhang, Liwen Yang, Xiaolin Wei
Summary: The study investigates a cathode catalyst based on B- and N-doped and BN codoping on Stone-Wales defect graphene for Li-O-2 batteries through first-principles calculations. The BN codoped structure shows increased stability, extremely low discharge and charge overpotentials, making it an excellent cathode catalyst. Additionally, the research provides insight into the correlation between intermediate adsorption and catalytic behavior, offering a promising approach in designing high activity Li-O-2 battery cathode catalysts.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Engineering, Environmental
Dong-Hun Lee, Do-Hyeon Kim, Heechul Jung, Cheol-Min Park
Summary: Germanium is a highly researched anode material for Li-ion batteries due to its high Li storage capacity and electrical conductivity. The Li reaction pathways in germanium have been demonstrated through the analysis of nanocrystalline germanium. The electrochemical performance of a germanium-based nanocomposite, Ge/Al2O3/C, has been enhanced for better Li storage characteristics.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Physical
Tao Zhou, Yuxin Dai, Jinyan Du, Yucheng Huang
Summary: The stabilities, electronic and piezoelectric properties of MXs nanotubes were systematically investigated using first-principles calculations. The nanotubes exhibit high thermodynamic stability, suitable band gap, robust mechanical property, and adjustable piezoelectric coefficient, making them promising candidates for piezoelectric materials.
APPLIED SURFACE SCIENCE
(2022)
Article
Chemistry, Physical
Daniel Friedrich, Shiqiang Hao, Shane Patel, Chris Wolverton, Mercouri G. Kanatzidis
Summary: Nine new chalcogenide semiconductors have been synthesized and structurally characterized, filling in missing links in quaternary systems. These materials exhibit a wide range of band gaps and distinct polymorphism, with first-principles theoretical calculations providing critical insights into their structure/property relationships. Discussions on kinetic and thermodynamic factors responsible for crystallization, structural considerations, and complementary density functional theory calculations shed light on the unique properties of these quaternary phases.
CHEMISTRY OF MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
Ji Hyun Um, Aihua Jin, Xin Huang, Jeesoo Seok, Seong Soo Park, Janghyuk Moon, Mihyun Kim, So Hee Kim, Hyun Sik Kim, Sung-Pyo Cho, Hector D. Abruna, Seung-Ho Yu
Summary: This study directly visualizes the dissolution and deposition reactions of selenium cathodes and builds a nucleation site distribution map. It reveals the nucleation behavior dependent on the depletion of polyselenides and morphological characteristics, with particle-like Li2Se forming upon discharge and dendritic Se forming upon charge. Prioritizing nucleation over growth can effectively utilize selenium and prevent dendritic growth.
ENERGY & ENVIRONMENTAL SCIENCE
(2022)
Article
Chemistry, Multidisciplinary
Shaoshuai Gao, Tingyu Zhao, Dongxu Wang, Jian Huang, Youlin Xiang, Yingjian Yu
Summary: This study used density functional theory (DFT) to investigate the adsorption and diffusion of Li and Na on Ge nanowires and their substrates. The findings showed that surface modification with one or two P atoms can reduce the adsorption energies, with the sidewall of the Ge nanowire modified by two P atoms being the most favorable for Li/Na adsorption. The diffusion pathways and energy barriers of Li/Na on the sidewall of Ge nanowires and the Ge substrate were studied using the nudged elastic band (NEB) method. The results suggest that the Ge nanowires can be used as anodes in lithium and sodium ion batteries. Additionally, the insertion of Li/Na into the Ge nanowires causes volume expansion and an increase in the average length of Ge-Ge bonds. This work contributes to the understanding of Li/Na adsorption and diffusion on nanowires with substrates, as well as the volume expansion caused by their insertion into the nanowires. It also provides guidance for designing Ge anodes for sodium ion batteries.
Article
Chemistry, Multidisciplinary
Bingyi Lu, Zhiwen Min, Xiao Xiao, Boran Wang, Biao Chen, Gongxun Lu, Yingqi Liu, Rui Mao, Yanze Song, Xian-Xiang Zeng, Yuanmiao Sun, Jinlong Yang, Guangmin Zhou
Summary: A tandem catalyst derived from spent lithium-ion batteries is synthesized and significantly accelerates the kinetics of CO2 reduction and evolution reactions. The designed interface-induced electric field regulates the adsorption and decomposition of intermediates, resulting in excellent bidirectional catalytic performance of the recycled catalyst.
ADVANCED MATERIALS
(2023)
Article
Engineering, Electrical & Electronic
Yuhua Yang, Zhichao Xi, Yecheng Dong, Ziwei Zhang, Jun Zhou
Summary: A carbon @ Sn sample based on Gram-Positive Bacteria Bacillus Subtilis (GPBBS) was prepared and exhibited high specific capacity and excellent rate performance. It showed a specific capacity of 714.98 mA h g(-1) at a current density of 100 mA g(-1) after 100 cycles, suggesting its potential as a prospective anode material for Li-ion batteries.
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
(2023)
Article
Chemistry, Physical
Mei Gui Vanessa Wee, Amutha Chinnappan, Runxin Shang, Poh Seng Lee, Seeram Ramakrishna
Summary: Cooling processes, from residences to industries, require a lot of energy and are essential. This study introduces MIL-101(Cr), a new desiccant, to heat exchangers for more efficient cooling. By improving the synthesis method and using a special binder, the MIL-101(Cr)-coated heat exchanger shows improved water uptake capacity and lower regeneration temperature.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Article
Chemistry, Physical
Ao Zhen, Guanyu Zhang, Ao Wang, Feng Luo, Jiehua Li, Hong Tan, Zhen Li
Summary: In this study, a solvent-free microemulsion method was used to synthesize waterborne polyurethane (WPU) material with high retention of mechanical properties and satisfactory water absorption rates. The material showed excellent biocompatibility and has broad application potential in the field of biomedicine.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Review
Chemistry, Physical
Wensong Ge, Rui Wang, Xiaoyang Zhu, Houchao Zhang, Luanfa Sun, Fei Wang, Hongke Li, Zhenghao Li, Xinyi Du, Huangyu Chen, Fan Zhang, Huifa Shi, Huiqiang Hu, Yongming Xi, Jiankang He, Liang Hu, Hongbo Lan
Summary: This paper reviews the research on the surface tension of eutectic gallium-indium alloys (EGaIn) in the field of stretchable electronics. It covers the principles of oxide layer formation, factors influencing surface tension, and methods for surface modification of liquid metals. The paper also discusses the applications of EGaIn surface modification in different fields and highlights the challenges still faced and the future outlook.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Review
Chemistry, Physical
Xiang Song, Lianghao Jia, Zhengen Wei, Tao Xiang, Shaobing Zhou
Summary: This paper provides an overview of the application, preparation, and role of biomimetic structures in solar evaporators with improved evaporation rate and lifetime.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Article
Chemistry, Physical
Wei Yuan, Qian Deng, Dong Pan, Xiang An, Canyang Zhao, Wenjun Su, Zhengmin He, Qiang Sun, Ran Ang
Summary: Optimizing the performance of n-type PbTe thermoelectric materials is crucial for practical applications. Dynamic doping has emerged as an effective method to improve the performance of n-type PbTe by optimizing the carrier concentration. This study demonstrates the significance of Mn alloying in enhancing the performance of Ag-doped n-type PbTe by creating a hierarchical structure to suppress thermal transport and improving the Seebeck coefficient.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Review
Chemistry, Physical
Xiaoyan Wang, Meiqi Geng, Shengjun Sun, Qian Xiang, Shiyuan Dong, Kai Dong, Yongchao Yao, Yan Wang, Yingchun Yang, Yongsong Luo, Dongdong Zheng, Qian Liu, Jianming Hu, Qian Wu, Xuping Sun, Bo Tang
Summary: This review provides a comprehensive analysis of the progress and challenges in the field of bifunctional electrocatalysts and efficient electrolyzers for seawater splitting. It summarizes recent advancements and proposes future perspectives for highly efficient bifunctional electrocatalysts and electrolyzers.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Article
Chemistry, Physical
Jason K. Phong, Christopher B. Cooper, Lukas Michalek, Yangju Lin, Yuya Nishio, Yuran Shi, Huaxin Gong, Julian A. Vigil, Jan Ilavsky, Ivan Kuzmenko, Zhenan Bao
Summary: Dynamic block copolymers (DBCPs) combine the phase separation of traditional block copolymers with the supramolecular self-assembly of periodic dynamic polymers, resulting in the spontaneous self-assembly of high aspect ratio nanofibers with well-ordered PEG and PDMS domains. DBCPs with a periodic block sequence exhibit superior properties compared to those with a random sequence, including delayed onset of terminal flow and higher ionic conductivity values.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Article
Chemistry, Physical
Hong Kyu Lee, Yasaswini Oruganti, Jonghyeon Lee, Seunghee Han, Jihan Kim, Dohyun Moon, Min Kim, Dae-Woon Lim, Hoi Ri Moon
Summary: This study reports the moisture-triggered proton-conductivity switching behavior in Zn5FDC MOFs induced by the presence and absence of coordinating solvents, which illustrates the significant role of coordinating solvents in conductivity variation.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Article
Chemistry, Physical
Bommaramoni Yadagiri, Sanjay Sandhu, Ashok Kumar Kaliamurthy, Francis Kwaku Asiam, Jongdeok Park, Appiagyei Ewusi Mensah, Jae-Joon Lee
Summary: The molecular engineering of the interface modulator between the perovskite and hole transporting material is crucial for achieving satisfactory performance and stability of perovskite solar cells. In this study, cruciform-shaped dual functional organic materials were employed as surface passivation and hole transporting interfacial layers in perovskite solar cells. The use of these materials significantly improved the power conversion efficiency of the solar cells.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Article
Chemistry, Physical
Joaquin Martinez-Ortigosa, Reisel Millan, Jorge Simancas, Manuel Hernandez-Rodriguez, J. Alejandro Vidal-Moya, Jose L. Jorda, Charlotte Martineau-Corcos, Vincent Sarou-Kanian, Mercedes Boronat, Teresa Blasco, Fernando Rey
Summary: This study investigates the synthesis of all-silica RTH zeolites using triisopropyl(methyl)phosphonium as the organic SDA. The results show the formation of two distinct crystalline phases under different synthesis conditions, with fluoride bonding to different silicon sites. It demonstrates the possibility of controlling the placement of fluoride in RTH zeolites through synthesis conditions.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Article
Chemistry, Physical
Luyao Zheng, Cong Liu, Wenbiao Zhang, Boxu Gao, Tianlan Yan, Yahong Zhang, Xiaoming Cao, Qingsheng Gao, Yi Tang
Summary: This study successfully improves the efficiency and stability of water splitting by constructing a heterostructured electrocatalyst. The catalyst shows extraordinary performance and could offer an effective approach for the sustainable production of hydrogen.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Article
Chemistry, Physical
Carlos A. Campos-Roldan, Raphael Chattot, Frederic Pailloux, Andrea Zitolo, Jacques Roziere, Deborah J. Jones, Sara Cavaliere
Summary: This study systematically evaluated the hydrogen evolution/oxidation reactions on a series of Pt-rare earth nanoalloys in alkaline media, and identified the effect of the lanthanide contraction. The experimental results revealed that the chemical nature of the rare earth modulates the adsorption and mobility of oxygenated-species, enhancing the kinetics of the reactions.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Article
Chemistry, Physical
Sara Frank, Mads Folkjaer, Mads L. N. Nielsen, Melissa J. Marks, Henrik S. Jeppesen, Marcel Ceccato, Simon J. L. Billinge, Jacopo Catalano, Nina Lock
Summary: This study investigates the thermal decomposition of ZIF-67 and its correlation with structural evolution and electrocatalytic performance. The researchers used in situ X-ray absorption spectroscopy and total scattering techniques to analyze the process. They found that disorder emerges at lower temperatures and that extending the pyrolysis process can result in materials with superior electrochemical properties.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Article
Chemistry, Physical
Zi-Yang Zhang, Hao Tian, Han Jiao, Xin Wang, Lei Bian, Yuan Liu, Nithima Khaorapapong, Yusuke Yamauchi, Zhong-Li Wang
Summary: By constructing Cu-0-Cu+-NH2 composite interfaces with the assistance of SiO2, the electrochemical CO2 reduction reaction (CO2RR) achieves high Faraday efficiency and current density for C2+ production, improving the productivity of carbon cycle.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Article
Chemistry, Physical
Ting Wang, Ruijuan Zhang, Pengda Zhai, Mingjie Li, Xinying Liu, Chaoxu Li
Summary: This study successfully exfoliated COFs using a simple electrochemical method, which resulted in improved photocatalytic performance for COFs and enriched the fabrication approach of COF exfoliation.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)