Article
Chemistry, Multidisciplinary
Yi Tan, Li Yang, Dong Zhai, Lanju Sun, Shengliang Zhai, Wei Zhou, Xiao Wang, Wei-Qiao Deng, Hao Wu
Summary: In this study, a novel method of incomplete in situ conversion was used to form MOF@MXene heterostructures, which significantly improved the electrochemical sensing performance of metal-organic framework (MOF) catalysts towards nitric oxide (NO) molecules. Density functional theory and molecular mechanics calculations revealed the metal-like electronic properties and enhanced NO adsorption energies of the heterostructures. This research may promote the development of advanced electrochemical sensing technologies.
Article
Multidisciplinary Sciences
Jocienne N. Nelson, Nathaniel J. Schreiber, Alexandru B. Georgescu, Berit H. Goodge, Brendan D. Faeth, Christopher T. Parzyck, Cyrus Zeledon, Lena F. Kourkoutis, Andrew J. Millis, Antoine Georges, Darrell G. Schlom, Kyle M. Shen
Summary: The study of interface quantum materials has revealed many previously unknown physical phenomena, such as unconventional superconductivity, topological phases, and Majorana fermions. By using angle-resolved photoemission spectroscopy and molecular beam epitaxy, this research investigates the electronic structure, charge transfer, doping profile, and carrier effective masses of the interface between SrIrO3 and SrRuO3. The study finds that electrons are transferred from SrIrO3 to SrRuO3, and metallicity is preserved even in a single layer of SrIrO3, avoiding the metal-insulator transition typically observed in SrIrO3 due to strong hybridization of the Ir and Ru t(2g) states.
Article
Chemistry, Multidisciplinary
Hongzhi Zhou, Cheng Sun, Wei Xin, Yujie Li, Yuzhong Chen, Haiming Zhu
Summary: Coulomb interactions are crucial in low-dimensional semiconductor materials and play a significant role in determining the electronic and optical properties. This study demonstrates the influence of Coulomb interactions on the fate of photogenerated charges in 2D heterostructures using ultrafast spectroscopy. The results reveal the control of electron dynamics by holes and the modulation of interfacial electron transfer by dynamic Coulomb interaction.
Article
Chemistry, Physical
Jingnan Wang, Yuhong Huang, Gangqiang Zhu, Jianmin Zhang, Xiumei Wei, Fei Ma
Summary: The study investigates the influences of interfacial defects on the electronic states and photocatalytic properties of blue phosphorus/tungsten disulfide. It shows that adjusting band alignments at the interface can enhance optical absorption and lead to stronger built-in electric fields, improving the separation of photogenerated electron-hole pairs and enhancing photocatalytic activity.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Chemistry, Physical
Chao Peng, Tao Zhou, Ping Wei, Xiqiang Yan, Youchao Kong, Wenkang Xu, Hongjuan Wang, Hao Yu, Jianbo Jia, Kun Zhang, Bingpu Zhou, Hui Pan
Summary: This study fabricates 0D/2D/2D NCDs/TiO2/Ti3C2Mx photocatalyst via hydrothermal route for the first time and explores the synergistic effect of MXene and NCDs in enhancing the photocatalytic performance of TiO2 nanosheets. The results show that the photocatalytic hydrogen evolution and tetracycline hydrochloride degradation of 0.1 NCDs/TiO2/Ti3C2Mx-12 h are significantly higher than those of TiO2. The surface termination dominated electronic property of MXene and the synergistic interfacial charge kinetics steering play crucial roles in the photocatalytic enhancement.
APPLIED SURFACE SCIENCE
(2022)
Article
Materials Science, Multidisciplinary
Ben Lei, Wen Cui, Peng Chen, Ruimin Chen, Yanjuan Sun, Ki-Hyun Kim, Fan Dong
Summary: Efficient separation and transport of photo-induced charge carriers are crucial for photocatalysis. This research proposes a rational design strategy to validate this proposition by constructing LDH/Zn2SnO4 heterostructures with an interfacial structure. The interfacial charge transfer on LDH/Zn2SnO4 is greatly promoted, leading to the generation of reactive oxygen species (ROS) and the activation of reactants for toluene mineralization. The LDH/Zn2SnO4 is demonstrated as a superior photocatalyst against toluene, surpassing the individual components. This study offers a new path for the design of highly efficient photocatalysts for air purification.
ENERGY & ENVIRONMENTAL MATERIALS
(2023)
Article
Chemistry, Physical
Xiao Zhang, Huizhong Ma, Min Zhang, Yuchen Ma
Summary: The mechanism of CO2 photoreduction under the catalysis of anatase TiO2 is still not well understood. This study reveals that interfacial charge-transfer (CT) excitons play a crucial role in the reduction reactions, simplifying the process and reducing the reaction barriers. Additionally, the study shows that the remaining holes after CO2 reduction can promote the dissociation and oxidation of H2O, further enhancing the reaction efficiency.
Review
Chemistry, Multidisciplinary
Zhongrui Yu, Haobo Liu, Mingyuan Zhu, Ying Li, Wenxian Li
Summary: This review provides a comprehensive overview of current research efforts towards the development of 1D TiO2-based photoelectrodes for heterogeneous PEC water splitting, discussing the influences of nanoarchitectures and energy band engineering on interfacial charge transfer and separation. Additionally, the review explores the interactions between 1D TiO2 and photoactive materials of different dimensions.
Article
Materials Science, Multidisciplinary
Jianuo Fan, Jizhe Song, Yuqing Cheng, Mengtao Sun
Summary: Pressure can control interfacial charge transfer in WSe2-MoSe2 heterostructures, promote charge transfer separation in 2D heterostructures, and result in changes in band gap, effective mass, and intrinsic carrier concentration.
RESULTS IN PHYSICS
(2021)
Article
Chemistry, Physical
Hui Zeng, Zhenhua Li, Guangshe Li, Xiaoqiang Cui, Mingxing Jin, Tengfeng Xie, Lulu Liu, Mengpei Jiang, Xia Zhong, Yaowen Zhang, He Zhang, Kaikai Ba, Zekun Yan, Ying Wang, Shuyan Song, Keke Huang, Shouhua Feng
Summary: A nature-inspired multi-interfacial engineering strategy was proposed for constructing a stable and efficient photocatalytic hydrogen production system. By forming a multivariate all-solid-state Z-scheme through Ti orbit modulation and stacking hybridization, efficient electron transfer and separation were achieved, dramatically enhancing charge separation efficiency.
ADVANCED ENERGY MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Mincheol Chang, Byoungnam Park
Summary: In this study, we investigated photoelectrochemical sensitization induced by interface traps at the TiO2/ZnO interface formed through ZnO atomic layer deposition. The presence of interfacial defects was confirmed through photoluminescence measurements, and the charge transfer induced by these defects significantly impacted the photoelectrochemical photocurrent under different light sources.
Article
Chemistry, Multidisciplinary
Yuchong Kang, Kun Yang, Jing Fu, Zongguo Wang, Xuao Li, Zhiqiang Lu, Jia Zhang, Haibo Li, Jin Zhang, Wei Ma
Summary: Borophene-based van der Waals heterostructures have shown great potential in optoelectronic and photovoltaic devices. This study investigates the photoexcited carrier dynamics in different borophene/MoS2 heterostructures. The findings reveal the importance of Schottky contacts, electronic coupling, and phonon modes in determining the carrier dynamics in these heterostructures. Different borophene allotropes exhibit distinct and selective carrier transfer behaviors, enabling efficient charge separation and offering promising applications in optoelectronic and photovoltaic devices.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Pengfei Shen, Pei Yin, Yongtao Zou, Mu Li, Nanqiu Zhang, Dan Tan, Haiyang Zhao, Quanjun Li, Rusen Yang, Bo Zou, Bingbing Liu
Summary: The catalytic activity of 2D materials has been studied and their unique structural and electronic properties contribute to their success in conventional heterogeneous catalysis. Piezocatalysis based on heterojunctions has attracted attention because of band-structure engineering and enhanced charge carrier separation. A reduced graphene oxide (rGO)-MoS2 heterostructure is designed to tackle challenges such as finite active sites, catalyst poisoning, and poor conductivity. The heterostructure exhibits a record-high piezocatalytic degradation rate, which is significantly higher than that of MoS2 nanosheets. The mechanism of this behavior opens up new possibilities for developing efficient catalysts for wastewater treatment and other applications.
ADVANCED MATERIALS
(2023)
Article
Physics, Applied
Athby H. Al-Tawhid, Divine P. Kumah, Kaveh Ahadi
Summary: The study investigates the electronic interfacial coupling and structural properties of LaCrO3/KTaO3 heterostructures, revealing two distinct quantum corrections to conductivity at low temperatures: weak anti-localization and Kondo scattering.
APPLIED PHYSICS LETTERS
(2021)
Article
Chemistry, Physical
Muhammad Abiyyu Kenichi Purbayanto, See Wee Arramel, See Wee Koh, Francesco Maddalena, Dorota Moszczynska, Jessie Manopo, Yudi Darma, Dominik Kowal, Hong Li, Muhammad Danang Birowosuto, Agnieszka Maria Jastrzebska
Summary: This study investigates the influence of doped-MXenes on the work function of perovskite materials and its impact on efficient charge transfer in optoelectronic devices. The findings suggest that fluorine-doped MXenes can significantly increase the work function of perovskite materials, leading to improved device performance.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Xian Suo, Zhenzhen Yang, Yuqing Fu, Chi-Linh Do-Thanh, Dmitry Maltsev, Huimin Luo, Shannon M. Mahurin, De-en Jiang, Huabin Xing, Sheng Dai
Summary: Metal-ion-amino-based ionic liquids were utilized to fine-tune the energy regulation of CO2 chemisorption, demonstrating efficient and controllable CO2 release with reduced energy input and minimal sacrifice on CO2 uptake capacity, offering new prospects for energy-efficient carbon capture technologies.
Article
Chemistry, Physical
Kristen Wang, Zili Wu, De-en Jiang
Summary: Research suggests that the role of lattice hydrides is crucial in ammonia synthesis on perovskite oxyhydrides, with a subsurface hydride vacancy facilitating the distal pathway and neighboring surface Ti sites playing a key role in stabilizing intermediates in the alternating pathway. Desorption of NH3 is found to be the most energy uphill step in both pathways.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Kaitlyn Prenger, Yangunli Sun, Karthik Ganeshan, Ameer Al-Temimy, Kun Liang, Chaochao Dun, Jeffrey J. Urban, Jie Xiao, Tristan Petit, Adri C. T. van Duin, De-en Jiang, Michael Naguib
Summary: Two-dimensional transition-metal carbides and nitrides MXenes have shown great potential as electrode materials for electrochemical energy storage systems, especially delaminated Ti(3)C(2)Tx. However, the performance of multilayer Ti(3)C(2)Tx has been less impressive. In this study, metal cation pre-intercalated multilayer Ti(3)C(2)Tx was used as electrodes for aqueous supercapacitors, with K-Ti(3)C(2)Tx exhibiting the highest capacitances.
ACS APPLIED ENERGY MATERIALS
(2022)
Article
Multidisciplinary Sciences
Guodong Li, Guanqun Han, Lu Wang, Xiaoyu Cui, Nicole K. Moehring, Piran R. Kidambi, De-en Jiang, Yujie Sun
Summary: This study reports a new method for water electrolysis hydrogen production using a Cu3Ag7 electrocatalyst to replace the sluggish oxygen evolution reaction with the more favorable partial oxidation of formaldehyde to formate under alkaline conditions. The strategy not only produces more valuable anodic product than O-2 but also releases H-2 at the anode with a small voltage input.
NATURE COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Tongyu Liu, Alexander S. Ivanov, Ilja Popovs, Santa Jansone-Popova, De-en Jiang
Summary: Preorganized ligands like bis-lactam-1,10-phenanthroline (BLPhen) exhibit unique selectivity trends in the lanthanide series, indicating the synergistic effects of N and O donors in lanthanide complexation. Replacing amide groups with N-oxide functionality opens the possibility for new ligand structures with improved selectivities. Computational analysis of mixed N,O-donor ligands containing pyridinic N and N-oxide groups reveals three promising ligands for selectively separating trivalent lanthanides. Conjugation, complex geometry, and electron accumulations on the N-oxide groups' O-donors are important factors dictating selectivity trends.
Article
Chemistry, Physical
Kaili Yan, Hyuna Kwon, Morgan Huddleston, De-en Jiang, Yujie Sun
Summary: Electrocatalytic biomass valorization has gained increasing interest, but reports on pyridine-containing chemicals from biomass upgrading are rare. In this study, we describe an electrochemical synthesis of 3-pyridinol from biomass-derived furfurylamine, achieving a 97% yield. The use of a Br-/Br+ redox cycle and strong acidic conditions was crucial for driving the final dehydration step. Control experiments and computational investigations were conducted to elucidate the key mechanistic steps of the one-pot conversion of furfurylamine to 3-pyridinol.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Materials Science, Multidisciplinary
Tao Wu, De-en Jiang
Summary: In the past decade, MXenes have become one of the largest families of two-dimensional materials. This article highlights recent computational studies on MXenes in energy storage, electrocatalysis, and membrane applications. The discussion focuses on the structure, terminal groups, surface chemistry, and electronic structure features that contribute to the performance of MXene materials, providing important atomistic insights. The article also offers an outlook on predictive modeling of MXene materials.
Article
Multidisciplinary Sciences
Zhihe Liu, Hua Tan, Bo Li, Zehua Hu, De-en Jiang, Qiaofeng Yao, Lei Wang, Jianping Xie
Summary: In this study, the ligand effects of atomically precise metal nanoclusters on electrocatalysis kinetics were investigated. Atomically precise Au-25 nanoclusters with different ligands were used as electrocatalysts for the oxygen evolution reaction. It was found that Au-25 nanoclusters capped by para-mercaptobenzoic acid exhibited significantly higher performance compared to those capped by other ligands. Mechanistic insights were provided to support the use of atomically precise metal nanoclusters as effective electrocatalysts.
NATURE COMMUNICATIONS
(2023)
Article
Multidisciplinary Sciences
Mailis Lounasvuori, Yangyunli Sun, Tyler S. Mathis, Ljiljana Puskar, Ulrich Schade, De-En Jiang, Yury Gogotsi, Tristan Petit
Summary: This study investigates the hydration structure of protons intercalated in Ti3C2Tx MXene layers and finds that it differs from protons in bulk water. This finding has important implications for characterizing chemical species in energy storage and conversion applications.
NATURE COMMUNICATIONS
(2023)
Article
Nanoscience & Nanotechnology
Zhun Dong, Wenda Hu, Hongjun Liu, Zhenzhen Yang, Debabrata Moitra, De-en Jiang, Sheng Dai, Jian Zhi Hu, Di Wu, Hongfei Lin
Summary: It is found that treating UiO-66 with methanol solvent and thermal activation can significantly enhance its CO2 adsorption capacity. Methanol treatment effectively removes residual impurities in the micropores of UiO-66 and improves its surface area, pore volume, and void fraction, leading to a close-to-ideal CO2 adsorption capacity.
ACS APPLIED NANO MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Yujing Tong, Hongjun Liu, Sheng Dai, De-en Jiang
Summary: Researchers have discovered a new type of monolayer covalent fullerene network that shows promising potential as a high-permeance, selective hydrogen separation membrane. These membranes have the best pore size match, a unique funnel-shaped pore, and entropic selectivity, making them ideal for separating H-2 from larger gases such as CO2 and O-2. With excellent hydrogen permeance and high selectivity, these ultrathin membranes surpass the 2008 Robeson upper bounds by a large margin.
Article
Chemistry, Multidisciplinary
Chenkun Zhou, Di Wang, Francisco Lagunas, Benjamin Atterberry, Ming Lei, Huicheng Hu, Zirui Zhou, Alexander S. Filatov, De-en Jiang, Aaron J. Rossini, Robert F. Klie, Dmitri V. Talapin
Summary: Researchers have successfully synthesized a family of hybrid MXenes (h-MXenes) that incorporate amido- and imido-bonding between organic and inorganic parts. These h-MXenes combine the tailorability of organic molecules with the electronic connectivity and other properties of inorganic 2D materials, and exhibit superior stability against hydrolysis.
Article
Chemistry, Physical
Kristen Wang Romero, Felipe Polo-Garzon, Zili Wu, Aditya Savara, De-en Jiang
Summary: Using first-principles density functional theory and microkinetic modeling, we investigated the catalytic mechanism of acetylene semi-hydrogenation on a perovskite oxyhydride (POH), cubic BaTiO(2.5)H(0.5) (BTOH). We found that at 523K, mechanism 1 is more active than mechanism 2, leading to selective formation of ethylene.
Article
Chemistry, Multidisciplinary
Sourav Biswas, Sakiat Hossian, Taiga Kosaka, Jin Sakai, Daichi Arima, Yoshiki Niihori, Masaaki Mitsui, De-en Jiang, Saikat Das, Song Wang, Yuichi Negishi
Summary: This article discusses the challenges of synthesizing highly symmetric Cu(I)-thiolate nanoclusters and presents a nested Keplerian architecture of [Cu58H20(SPr)(36)(PPh3)(8)](2+) (Pr = CH2CH2CH3). The structure consists of five concentric polyhedra of Cu(I) atoms, providing enough space to accommodate five ligand shells within a range of 2 nm. This intriguing structural architecture is also correlated with the unique photoluminescence properties of the nanoclusters.
CHEMICAL COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Can Liao, Manzhou Zhu, De-en Jiang, Xiaosong Li
Summary: Atomically precise nanoclusters, such as Au-25(SR)(18), have unique electronic structures that contribute to their nanochemical properties. This study aims to understand the spectral progression of Au-25(SR)(18) nanoclusters of different oxidation states using variational relativistic time-dependent density functional theory. The investigation will focus on the effects of superatomic spin-orbit coupling and Jahn-Teller distortion on the absorption spectra.
