Article
Chemistry, Physical
Jia-Yun Wang, He-Nan Shang, Di Liu, Si-Jia Li, Ya-Xuan Bai, Yu-Bo Liu, Jin-Sheng Liang
Summary: The paper investigates an efficient, low-cost, and high-stable heterogeneous catalyst for the dehydrogenation of formic acid. Through a co-reduction method, ultrafine nanoparticles of NiCoPd-CeOx supported on nitrogen phosphorus co-functionalized reduced graphene oxide (NPG) were synthesized and exhibited outstanding catalytic activity and stability. This catalyst shows potential for the practical application of formic acid in fuel cells.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Energy & Fuels
Yuan Zhang, Baojun Wang, Maohong Fan, Debao Li, Riguang Zhang
Summary: This study investigated the activity and selectivity of ethane dehydrogenation on various types of single atom alloy catalysts, revealing a relationship between activity and C2H4 desorption energy, as well as between selectivity and C2H5 adsorption energy. Dual descriptors, C2H4 desorption energy and C2H5 adsorption energy, were proposed to evaluate the activity and selectivity of ethane dehydrogenation to gas phase C2H4. Among the catalysts studied, the low-cost NiCu catalyst exhibited the best performance, surpassing noble metals Pd and Pt.
Article
Chemistry, Physical
En-Jing Lin, Yu-Bin Huang, Po-Kai Chen, Je-Wei Chang, Shu-Yi Chang, Wei-Ting Ou, Ching-Chih Lin, Yu-Hsien Wu, Jeng-Lung Chen, Chih-Wen Pao, Chun-Jen Su, Chia-Hsin Wang, U-Ser Jeng, Ying-Huang Lai
Summary: Pt single atoms are successfully grafted into the special pore structure of g-C3N4 and exhibit good photoelectric catalytic performance. The best-performing catalyst has a Pt load of 17 μg/cm² on the electrode, with a weight percentage of 2.13%. Under acidic conditions, the turnover frequency for the photoelectric catalysis is -44.8 H2/s. The Pt atoms incorporated into g-C3N4 combine the strong adsorption ability of Pt atoms with H atoms and the optical properties of g-C3N4.
APPLIED SURFACE SCIENCE
(2023)
Article
Engineering, Chemical
Zhikun Huang, Haojie Yu, Li Wang, Xiaowei Liu, Shuning Ren, Yudi Huang, Xiaodan Gong, Ruixue Liang, Di Shen, Xudong Wu
Summary: A Fe-N-C/CN-Fc heterostructured composite (FCF-0.05) with superior photocatalytic activity was fabricated and showed efficient charge separation, leading to complete removal of BPA within 60 min in the FCF-0.05/PMS/Vis system. The apparent rate constant (k) of FCF-0.05 was 24 times and 10 times higher than those of CN/Vis and CN/PMS/Vis systems, respectively. The FCF-0.05/PMS/Vis system also exhibited high stability and superior catalytic activity in real water and outdoor environment. The BPA degradation mechanism and pathway were identified using experimental and DFT calculations methods.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Chemistry, Physical
Ya-Wei Zhou, Ya-Feng Chen, Xianxian Qin, Kun Jiang, Wen-Feng Lin, Wen-Bin Cai
Summary: In this study, Pd nanosheets decorated with SnO2 nanoflakes (Pd@SnO2-NSs) were designed as a composite catalyst for formic acid electro-oxidation, showing superior performance compared to pristine Pd nanosheets (Pd-NSs). In situ attenuated total reflection infrared (ATR-IR) spectroscopic results suggest a promoted formate pathway on the Pd@SnO2-NSs with suppressed accumulation of CO poisoning species. DFT calculations further indicate that the Pd (111) surface modified with SnO2 has lower energy barriers for key reactions in formic acid electro-oxidation.
JOURNAL OF CATALYSIS
(2021)
Article
Chemistry, Physical
Yu Teng Wang, Hsun-Yen Lin, Yu-Ching Chen, Yan-Gu Lin, Jyh Ming Wu
Summary: This study develops a single-atom Pt-loaded graphitic carbon nitride, which exhibits excellent piezo-flexocatalytic properties under ultrasonic vibration, showing high hydrogen evolution yield and dye degradation efficiency. The lattice distortion and strain gradient enlargement caused by the single atom Pt are the key factors for the enhanced catalytic performance.
Article
Chemistry, Physical
Dong-Xue Liu, Yi-Tong Zhou, Yong-Fu Zhu, Ze-Yu Chen, Jun-Min Yan, Qing Jiang
Summary: In this study, an efficient catalyst Au0.35Pd0.5Ir0.15/NH2-N-rGO was successfully synthesized and applied for hydrogen generation from formic acid. The addition of Ir was found to change the rate determining step and improve the conversion and selectivity of the catalyst. Furthermore, it was shown that this method can be extended to other tri-metallic alloys with the addition of other high gamma elements, resulting in effective catalysts for hydrogen generation from formic acid.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2022)
Article
Materials Science, Paper & Wood
Yang Hao, Yu-Chang Hou, Da Song, Wei-Ming Yin, Xi-Yu Chen, Chen Wang, Yuan-Ru Guo, Li Li, Qing-Jiang Pan
Summary: A g-C3N4/C composite with porous structure was successfully fabricated using cellulose as a sacrificial template. The composite exhibited excellent adsorption and photocatalytic degradation properties towards phenol pollutant.
Article
Chemistry, Physical
Shizong Wang, Jianlong Wang
Summary: This study prepared carbon-supported cobalt catalyst and investigated the effect of co-pyrolysis temperature on catalytic activity. The results showed that with the increase of temperature, the catalytic activity increased. Co-C-X could activate PMS to produce various active species, but the leaching cobalt increased with temperature. Co-C-600 showed fast degradation for multiple organic pollutants and high tolerance to environmental conditions and inorganic ions.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2023)
Article
Chemistry, Physical
Estela Ruiz-Lopez, Maria Ribota Pelaez, Maria Blasco Ruz, Maria Isabel Dominguez Leal, Marcela Martinez Tejada, Svetlana Ivanova, Miguel angel Centeno
Summary: Formic acid is an excellent hydrogen carrier and there is growing interest in the development of efficient and selective catalysts for its dehydrogenation. This study investigated heterogeneous catalysts based on mono- or bimetallic Pd/Ru for formic acid dehydrogenation reactions in both liquid- and vapor-phase conditions. The catalysts exhibited good catalytic activity and selectivity towards the dehydrogenation reaction, preventing the formation of undesired CO.
Article
Chemistry, Physical
Julia B. Curley, Nicholas E. Smith, Wesley H. Bernskoetter, Mehmed Z. Ertem, Nilay Hazari, Brandon Q. Mercado, Tanya M. Townsend, Xiaoping Wang
Summary: The iron pincer complex ((PNP)-P-iPr)Fe(H)(CO) is an active catalyst, but rapid decomposition limits its performance. Analysis suggests that catalytic intermediates may decompose via a bimolecular pathway, leading to the formation of dimeric species. The study provides strategies for improving catalysis and enhancing the performance of the catalyst in formic acid dehydrogenation.
Article
Chemistry, Physical
Chunguang Dong, Zhuangzhuang Lai, Haifeng Wang
Summary: In this study, 29 transition metal single-atom catalysts were screened for the direct propane dehydrogenation (PDH) to produce propylene. Only six catalysts (including Ti, Zr, and Hf) were found to be stable and exhibit high activity at the working conditions. These findings provide theoretical guidance for using low-coordination single-atom catalysts to enhance PDH in experiments.
Article
Chemistry, Physical
Chunguang Dong, Zhuangzhuang Lai, Haifeng Wang
Summary: In this study, 29 3N-coordinated transition metal single-atom catalysts (TM1-N3/C) were evaluated for their stability, activity, and selectivity in propane dehydrogenation (PDH) through first-principles mechanistic exploration and microkinetic modeling. Six TM1-N3/C catalysts (TM = Sc, Ti, Y, Zr, La, Hf) were found to be stable and demonstrated higher activities than traditional catalysts. This study provides comprehensive information for the theoretical screening of TM1-N3/C for PDH and suggests the potential use of low-coordination single-atom catalysts for enhanced PDH in experiments.
Article
Nanoscience & Nanotechnology
Qiang Zhang, Xian Wang, Fuchun Zhang, Chunyao Fang, Di Liu, Qingjun Zhou
Summary: TM-Nx is a promising catalyst for green ammonia synthesis, leading to increased interest in single-atom catalysts for nitrogen fixation. In this study, a holey graphitic carbon-nitride skeleton was constructed, which provides excellent electrical conductivity for high-efficiency nitrogen reduction reaction (NRR). The calculations showed that tungsten embedded in the graphitic carbon-nitride substrate exhibited optimal NRR behavior, with a suppressed hydrogen evolution reaction and low energy cost. Overall, this research provides valuable insights for the design of efficient catalysts for nitrogen fixation.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Physical
Li-Ping Xu, Brandon E. Haines, Manjaly J. Ajitha, Jin-Quan Yu, Djamaladdin G. Musaev
Summary: Density functional theory calculations have provided insights into the unified mechanism of Cu(II)-catalyzed and amide-oxazoline-directed C(sp(2))-H functionalization reactions, with different coupling partners leading to the formation of new C-C or C-N bonds. The activation of the C-H bond is identified as the rate-limiting step for all reactions, as supported by experimental kinetic isotope effect studies.
Article
Chemistry, Physical
J. Sirijaraensre, J. Limtrakul
APPLIED SURFACE SCIENCE
(2016)
Article
Chemistry, Physical
Patanachai Janthon, Francesc Vines, Jakkapan Sirijaraensre, Jumras Limtrakul, Francesc Illas
JOURNAL OF PHYSICAL CHEMISTRY C
(2017)
Article
Chemistry, Physical
Yuwanda Injongkol, Thana Maihom, Piti Treesukul, Jakkapan Sirijaraensre, Bundet Boekfa, Jumras Limtrakul
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2017)
Article
Chemistry, Multidisciplinary
J. Sirijaraensre, J. Limtrakul
STRUCTURAL CHEMISTRY
(2018)
Article
Chemistry, Physical
Patanachai Janthon, Francesc Vines, Jakkapan Sirijaraensre, Jumras Limtrakul, Francesc Illas
CATALYSIS SCIENCE & TECHNOLOGY
(2017)
Article
Chemistry, Physical
J. Sirijaraensre, P. Khongpracha, J. Limtrakul
APPLIED SURFACE SCIENCE
(2019)
Article
Chemistry, Multidisciplinary
Jakkapan Sirijaraensre
Summary: The sensing properties of paddlewheel-type metal dimers (M-BTC: M = Fe, Ni, Cu, Zn, and Pd) towards SO2 gas were investigated using density functional theory. Among the studied systems, Ni-BTC and Zn-BTC paddlewheels showed the highest sensitivity towards SO2 gas, suggesting their great potential as SO2 sensors.
Article
Engineering, Environmental
Sirapat Munpollasri, Yingyot Poo-arporn, Waleeporn Donphai, Jakkapan Sirijaraensre, Winyoo Sangthong, Sirapassorn Kiatphuengporn, Pongsakorn Jantaratana, Thongthai Witoon, Metta Chareonpanich
Summary: For the first time, the effects of an external magnetic field on metal phase transformation, CO2 conversion, and C-2 + C-3 hydrocarbons selectivity of Fe-Cu/MCM-41 catalysts were investigated using time-resolved X-ray absorption spectroscopy and online quadrupole mass spectrometry. The results showed that the magnetic field stabilized the active forms of FeO and Fe3O4 within the catalysts, leading to increased CO2 conversion and improved concentrations of C-2 + C-3 hydrocarbons.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Biochemical Research Methods
Winyoo Sangthong, Jakkapan Sirijaraensre
Summary: In this study, density functional theory calculations were used to investigate the cycloaddition reaction of ethylene oxide (EO) with CO2 in the absence of a co-catalyst. The influence of exchanged metals on the adsorption of EO was found to be significant. The proposed reaction mechanism involves the concerted mechanism, with the metals initiating the EO ring opening and the formation of two new C-O bonds between the adsorbed EO and CO2. The Cu-FAU catalyst exhibited the lowest activation energy, which can be attributed to moderate adsorption of EO and larger electron transfer at the transition state.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
(2022)
Article
Chemistry, Organic
Poomsith Thangsan, Thanya Rukkijakan, Bongkotrat Thanaussavadate, Kanyapat Yiamsawat, Jakkapan Sirijaraensre, Kevin P. P. Gable, Pitak Chuawong
Summary: Alkylphenylacetylene derivatives were synthesized and used in the Larock heteroannulation reaction to investigate the steric influence on regioselectivity. The results showed that large alkyl groups favored the formation of 2-alkyl-3-phenylindole products, while smaller alkyl groups preferred 3-alkyl-2-phenylindole. Various steric parameters, especially Charton values, exhibited good correlations with the regioisomeric product ratios.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Jakkapan Sirijaraensre
Summary: This study used DFT calculations to investigate the adsorption and sensitivity of six M-HITP units (M = Cr, Mn, Fe, Co, Ni, and Cu) as active sensor materials for SO2 gas. The results showed that there were two modes of adsorption on the metal center, namely O-bound and S-bound configurations. Among them, Cr-HITP exhibited significant response to SO2 gas, while the remaining systems were almost insensitive. Therefore, Cr-HITP has great potential in the application of SO2 gas sensors.
Article
Chemistry, Multidisciplinary
Jakkapan Sirijaraensre
NEW JOURNAL OF CHEMISTRY
(2019)
Article
Chemistry, Multidisciplinary
Patipan Charoenwiangnuea, Thana Maihom, Pipat Kongpracha, Jakkapan Sirijaraensre, Jumras Limtrakul
Article
Chemistry, Multidisciplinary
Jakkapan Sirijaraensre
Summary: DFT calculations were used to investigate the structure and electronic properties of bimetallic paddlewheels, revealing the importance of substituted metal in the adsorption of SO and CO2 molecules. Highly exposed Cu active sites in Al-Cu-BTC and Ga-Cu-BTC play a crucial role in activating the SO in the chemical reaction compared to Mg-Cu-BTC and Ca-Cu-BTC nodes.
NEW JOURNAL OF CHEMISTRY
(2021)
Article
Chemistry, Physical
Qi-Wen Chen, Ze-Qing Guo, Jian-Ping Zhou
Summary: Multifunctional continuous solid solutions NFMTO-x were successfully synthesized via a one-step hydrothermal method by controlling the ratio of Mg and Fe. The NFMTO-x materials exhibited enhanced visible light response, effective adsorption and photocatalytic degradation of organic pollutants, CO2 methanation capability, and easy recyclability due to their magnetic properties. This research provides a significant multifunctional material for water purification.
APPLIED SURFACE SCIENCE
(2024)
Review
Chemistry, Physical
George E. Stan, Maziar Montazerian, Adam Shearer, Bryan W. Stuart, Francesco Baino, John C. Mauro, Jose M. F. Ferreira
Summary: Bioactive glasses have the ability to form strong bonds with tissues and release therapeutic ions. However, their biomechanical compatibility limits their use in load-bearing applications. The use of magnetron sputtering technology to fabricate BG coatings shows promise in improving their efficacy and potential for application.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Zhaoxuan Wang, Zhicheng Yan, Zhigang Qi, Yu Feng, Qi Chen, Ziqi Song, Meng Huang, Peng Jia, Ki Buem Kim, Weimin Wang
Summary: The corrosion behavior of Fe-60 and Fe-83 ribbons in 0.6 M NaCl was studied. Fe-60 exhibited a local corrosion mode and formed a stable passivation film with higher corrosion resistance, while Fe-83 showed a combination of local and global corrosion modes and had lower corrosion resistance. Controlling the precipitation of nanocrystalline phases and increasing the POx content in the passivation film significantly improved the corrosion resistance of Fe-based glassy alloys.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Hao-Kai Peng, Sheng-Yen Zheng, Wei-Ning Kao, Ting-Chieh Lai, Kai-Sheun Lee, Yung- Hsien Wu
Summary: This study investigates the effects of high energy/fluence proton radiation on the performance of HfZrOx-based FeFETs memory with different Zr content. The results show that the characteristics of FeFETs are influenced by proton radiation, and the extent of the influence depends on the Zr content. FeFETs with 50% Zr content exhibit minimal changes in memory window and demonstrate good endurance and retention performance.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Zongyi Yue, Guangyi Wang, Zengguang Huang, Sihua Zhong
Summary: In this study, AZO and ITO films were successfully tuned as excellent passivation layers for c-Si surfaces, achieving effective minority carrier lifetime and outstanding optical properties through the optimization of annealing temperature and interfacial silicon oxide.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Martin Hruska, Jan Kejzlar, Jaroslav Otta, Premysl Fitl, Michal Novotny, Jakub Cizek, Oksana Melikhova, Matej Micusik, Peter Machata, Martin Vrnata
Summary: This paper presents a detailed study on the hydrogen sensing capabilities of highly nanoporous black gold films. The films exhibit fast response and recovery times at low temperatures. Different levels of nanoporosity were prepared and tested to investigate the sensing properties, and it was found that nanoporous black gold is suitable for hydrogen sensing. The sensitivity of the film depends on its nanoporosity.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Yupu Wang, Gaofeng Teng, Chun To Yiu, Junyi Zhu
Summary: In the study of BM-SCO and HSCO thin films, it was found that H vacancies tend to prefer sites near the external surface or oxygen vacancy channels (OVCs), while H interstitials prefer sites of oxygen on a layer that contains six-fold coordinated Co. These findings not only enrich the understanding of complex surface phenomena of defect formation but also provide an explanation for the reversibility during phase transformation.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Jiafeng Lu, Linping Teng, Qinxiao Zhai, Chunhua Wang, Matthieu Lancry, Ye Dai, Xianglong Zeng
Summary: In this study, we achieved full control of fiber nanograting orientation by manipulating laser polarization, and tailored space variant fiber nanogratings, which expanded the diversity in fiber nanograting engineering.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Yibo Liu, Yujie Tao, Yue Liu, Qi Sun, Qinrong Lin, Kexin Kang, Qinghua Zhang, Qingjie Sun
Summary: This study investigates the wettability of the Ti-Cu-Fe multi-metal system, specifically the wetting behaviors of CuSi3 droplets on TC4 and 304SS plates. The results show that the CO2 + Ar gas atmosphere significantly affects interfacial mass transfer, thus influencing the wettability of the systems.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Jimei Liu, Fei Wang, Rong Guo, Yuqi Liu, Mengyu Zhang, Jaka Sunarso, Dong Liu
Summary: This study developed Co/MXene composites with anti-corrosion properties by varying the cobalt content. These composites exhibited remarkable electromagnetic absorption performance and high resistance to corrosion under various corrosive conditions. The study also revealed the mechanism of electron transfer from cobalt to MXene and the electromagnetic dissipation behavior originated from polarization loss alone.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Moujie Huang, Yongsong Ma, Jingbo Yang, Lingyun Xu, Hangqi Yang, Miao Wang, Xin Ma, Xin Xia, Junhao Yang, Deli Wang, Chuang Peng
Summary: Strong metal-support interactions (SMSIs) are important for enhancing catalytic activities and stability in thermal catalysis. This study demonstrates a method to create SMSIs in electrocatalysis using carbon nanotubes and Ru nanoparticles, resulting in excellent catalytic activity and stability.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Ravi Trivedi, Brinti Mondal, Nandini Garg, Brahmananda Chakraborty
Summary: This study explores the potential of biphenylene as a nanocarrier for the delivery of the anticancer drug cisplatin. It is found that biphenylene offers physical stability, rapid release rate, solubility, and bio-compatibilities compared to other nanocarriers. The adsorption of cisplatin on the surface of biphenylene involves charge transfer from cisplatin to biphenylene. The drug is shown to be released at body temperature in an acidic environment. Biphenylene also exhibits excellent cytotoxicity activity and cellular uptake of the drug. Overall, biphenylene shows promise as a potential nanocarrier for cisplatin delivery.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Hyun Jeong, Hyeong Chan Suh, Ga Hyun Cho, Rafael Salas-Montiel, Hayoung Ko, Ki Kang Kim, Mun Seok Jeong
Summary: In this study, a potential platform to enhance Raman scattering and increase the number of observable Raman modes in monolayer transition metal dichalcogenides (TMDs) was proposed. The platform consisted of large-scale arrays of gold micropillars (MPs), which were able to enhance the Raman intensity of TMDs and make difficult-to-detect Raman modes observable. The platform showed great industrial advantages and wide applicability due to its low cost, simple process, large controllable area, and short process time.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Yasir Abbas, Shafqat Ali, Sajjad Ali, Waqar Azeem, Zareen Zuhra, Haoliang Wang, Mohamed Bououdina, Zhenzhong Sun
Summary: In this study, FeOx@SPNO-C core-shell nanospheres as a catalyst for degradation of sulfamethoxazole (SMX) were successfully synthesized. The synergistic interaction between FeOx and SPNO-C, high carbon charge density, and the presence of C = O groups and N/Fe-Nx sites were found to be key factors for the enhanced degradation of SMX.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Qiaoting Yang, Yuxiao Gong, Yan Qian, Zhou-Qing Xiao, Serge Cosnier, Xue-Ji Zhang, Robert S. Marks, Dan Shan
Summary: This study proposes a hierarchical confinement strategy to design Prussian blue nanoparticles (PB NPs) with satisfactory electrocatalytic ability and stability. The catalytic synthesis of PB NPs is achieved through a hydrothermal process, and the as-prepared PB@NH2MIL exhibits efficient electronic transmission and enhanced electrocatalytic properties.
APPLIED SURFACE SCIENCE
(2024)