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| 1 | Progress of Air Pollution Control in China and Its Challenges and Opportunities in the Ecological Civilization Era显示文摘China’s past economic growth has substantially relied on fossil fuels,causing serious air pollution issues.Decoupling economic growth and pollution has become the focus in developing ecological civilization in China.We have analyzed the three-decade progress of air pollution controls in China,highlighting a strategic transformation from emission control toward air quality management.Emission control of sulfur dioxide(SO2)resolved the deteriorating acid rain issue in China in 2007.Since 2013,control actions on multiple precursors and sectors have targeted the reduction of the concentration of fine particulate matter(PM2.5),marking a transition to an air-quality-oriented strategy.Increasing ozone(O3)pollution further requires O3 and PM2.5 integrated control strategies with an emphasis on their complex photochemical interactions.Fundamental improvement of air quality in China,as a key indicator for the success of ecological civilization construction,demands the deep de-carbonization of China’s energy system as well as more synergistic pathways to address air pollution and global climate change simultaneously. | Xi Lu Shaojun Zhang Jia Xing Yunjie Wang Wenhui Chen Dian Ding Ye Wu Shuxiao Wang Lei Duan Jiming Hao | 2020 | Engineering2020，6，12： | 24 |
| 2 | Identification of immunoreactive proteins of Brucella melitensis by immunoproteomics显示文摘Infection with Brucella causes brucellosis, a chronic disease in humans, which induces abortion and sterility in livestock. Among the different Brucella species, Brucella melitensis is considered the most virulent and is the predominant species associated with outbreaks in China. To date, no safe human vaccine is available against Brucella infection. The currently used live vaccines against Brucella in livestock induce antibodies that interfere with the diagnosis of field infection in vaccinated animals, which is harmful to eradication programs. However, there is as yet no complete profile of immunogenic proteins of B. melitensis. Towards the development of a safer, equally efficacious, and field infection-distinguishable vaccine, we used immunoproteomics to identify novel candidate immunogenic proteins from B. melitensis M5. Eighty-eight immunoreactive protein spots from B. melitensis M5 were identified by Western blotting and were assigned to sixty-one proteins by mass spectrometry, including many new immunoreactive proteins such as elongation factor G, F0F1 ATP synthase subunit beta, and OMP1. These provide many candidate immunoreactive proteins for vaccine development. | ZHAO ZhongPeng YAN Fang JI WenHui LUO DeYan LIU Xin XING Li DUAN YueQiang YANG PengHui SHI XiuMin LI Zhong WANG XiLiang | 2011 | Science China(Life Sciences)2011，54，9： | 12 |
| 3 | Surface Modification of Polyamide66 Fabric by Grafting with Vinyltrimethoxysilane显示文摘 | WANG Aijuan DUAN Yuzhe GU Xiaoyu ZHANG Sheng ZANG Wenhui | 2017 | Chemical Research in Chinese Universities2017，33，3： | 5 |
| 4 | Group VB transition metal dichalcogenides for oxygen reduction reaction and strain-enhanced activity governed by p-orbital electrons of chalcogen显示文摘Developi ng alter native oxyge n reducti on reactio n (ORR) catalysts to replace precious Pt-based metals with abundant materials is the key challe nge of commercial application of fuel cells. Owing to their various compositi ons and tun able electronic properties, transition metal dichalcogenides (TMDs) have the great potential to realize high-efficiency catalysts for ORR. Here, various 3R-phase dichalcogenides of group VB and VIB transition metals (MX2, M = Nb, Ta, Mo, W;X = S, Se, Te) are investigated for ORR catalysts by using density functional theory calculations. The computed over-potentials of group VB TMDs are much less than those of group VIB TMDs. For group VB TMDs, a volcano-type plot of ORR catalytic activity is established on the adsorption energies of *OH, and NbS2 and TaTe2 exhibit best ORR activity with an oveepotential of 0.54 V. To achieve even better activity, strain engineering is performed to tune ORR catalytic activity, and the minimum over-potential of 0.43 V can be realized. We further dem on strate that the shift of p orbital center of surface chalcoge n elements under strain is responsible for tuning the catalytic activity of TMDs. | Shuyang Zhao Ke Wang Xiaolong Zou Lin Gan Hongda Du Chengjun Xu Feiyu Kang Wenhui Duan Jia Li | 2019 | Nano Research2019，12，4： | 4 |
| 5 | Fibrinolytic Evaluation of Compounds Isolated from a Marine Fungus Stachybotrys Iongispora FG216显示文摘 | Ruihua Guo Yiting Zhang Dong Duan Qiang Fu Xiangyu Zhang Xiaowei Yu Shujun Wang Bin Bao Wenhui Wu | 2016 | Chinese Journal of Chemistry2016，34，11： | 4 |
| 6 | Growth of atomically thick transition metal sulfide films on graphene/6H-SiC(0001) by molecular beam epitaxy显示文摘我们报导原子地厚的 NbS 2, TaS 2, 和 FeS 的生长和描述在底层与单层或 bilayer 终止了的 6H-SiC (0001 ) 上拍摄取向附生的 graphene。水晶和电子结构被扫描通道显微镜学和思考学习高精力的电子衍射。NbS 2 单层完全在 2H 结构,当 TaS 2 单层包含 1T 和 2H 结构时。费用密度波浪在所有阶段被观察。为 FeS 电影,四角形的结构与六角形的和没有超导性共存被观察。 | Haicheng Lin Wantong Huang Kun Zhao Chaosheng Lian Wenhui Duan Xi Chen Shuai-Hua Ji | 2018 | Nano Research2018，11，9： | 2 |
| 7 | 显示文摘 | Zhang Gang Duan Wenhui Gu Binglin | 2002 | Applied Physics Letters2002，80，14： | 1 |
| 8 | 石墨烯为实现水泥行业碳中和开辟新道路显示文摘Global cement production has increased 30 times since 1950 and nearly 4 times since 1990,becoming the third-largest source of anthropogenic carbon dioxide(CO_(2))emissions after fossil fuels and land-use changes[1].But the cement industry is under scrutiny.In order to achieve the Paris Agreement’s targets and reach net-zero CO_(2)emissions by 2050. | Felipe Basquiroto de Souza Xupei Yao Wenchao Gao Wenhui Duan | 2022 | Science Bulletin2022，67，1： | 1 |
| 9 | Study on CCD measurement system based on image processing 显示文摘 | Zhao Wenhui Duan Zhenyun Zhao Ping | 2012 | Advanced Materials Re- search2012，，： | 1 |
| 10 | Crossover from 2D metal to 3D Dirac semimetal in metallic PtTe2 films with local Rashba effect显示文摘PtTe2 and PtSe2 with trigonal structure have attracted extensive research interests since the discovery of type-II Dirac fermions in the bulk crystals. The evolution of the electronic structure from bulk 3D topological semimetal to 2D atomic thin films is an important scientific question. While a transition from 3D type-II Dirac semimetal in the bulk to 2D semiconductor in monolayer(ML) film has been reported for PtSe2, so far the evolution of electronic structure of atomically thin PtTe2 films still remains unexplored.Here we report a systematic angle-resolved photoemission spectroscopy(ARPES) study of the electronic structure of high quality PtTe2 films grown by molecular beam epitaxy with thickness from 2 ML to 6 ML.ARPES measurements show that PtTe2 films still remain metallic even down to 2 ML thickness, which is in sharp contrast to the semiconducting property of few layer PtSe2 films. Moreover, a transition from 2D metal to 3D type-II Dirac semimetal occurs at film thickness of 4–6 ML. In addition, Spin-ARPES measurements reveal helical spin textures induced by local Rashba effect in the bulk PtTe2 crystal, suggesting that similar hidden spin is also expected in few monolayer PtTe2 films. Our work reveals the transition from2D metal to 3D topological semimetal and provides new opportunities for investigating metallic 2D films with local Rashba effect. | Ke Deng Mingzhe Yan Chu-Ping Yu Jiaheng Li Xue Zhou Kenan Zhang Yuxin Zhao Koji Miyamoto Taichi Okuda Wenhui Duan Yang Wu Xiaoyan Zhong Shuyun Zhou | 2019 | Science Bulletin2019，64，15： | 1 |
| 11 | Pressure-induced Lifshitz transition in the type Ⅱ Dirac semimetal PtTe_2显示文摘Numerous exotic properties have been discovered in Dirac Semimetals(DSMs) and Weyl Semimetals(WSMs). In a given DSM/WSM, the Dirac/Weyl nodes usually coexist with other bulk states, making their respective contribution elusive. In this work, we distinguish the role of bulk states from the tilted Dirac nodes on the transport properties in DSMs. Specifically, we applied pressure to a type-II DSM material, PtTe2, and studied its pressure modified electronic and lattice structure systematically by using in situ transport measurements and X-ray diffraction(XRD). A pressure-induced transition at about 20 GPa is revealed in the transport properties, while the layered lattice structure is robust against pressure as illustrated in XRD measurement results.Density functional theory(DFT) calculations suggest that this is originated from the Lifshitz transition in the bulk states. Our findings provide evidence to identify the bulk states' influence on transport from the topologically-protected DSM states in the DSM material. | FengLiang Liu JiaHeng Li KeNan Zhang Shang Peng HuaQing Huang MingZhe Yan NaNa Li Qian Zhang SongHao Guo XuJie Lü Peng Cai LiFeng Yin ShuYun Zhou WenHui Duan Jian Shen WenGe Yang | 2019 | Science China(Physics,Mechanics & Astronomy)2019，62，4： | 1 |
| 12 | Heat treatment-induced Co^(3+) enrichment in CoFePBA to enhance OER electrocatalytic performance显示文摘Increasing active metal sites is a valid approach to improve the catalytic activity of the catalyst. Co^(3+) is the main active metal site of Co-based catalysts. In this research work, through the partial transformation of CoFePBA (CFP) via low-temperature heat treatment, the effective control of the Co^(3+)/Co^(2+) ratio has been achieved. The partial transformation strategy of low-temperature heat treatment can not only maintain the original framework structure of CFP, but also increase more active sites. The characterization results show that the CFP-200 sample obtained via heat treatment at 200 ℃ for 2 h under N2 atmosphere has the highest Co^(3+)/Co^(2+) ratio. As an oxygen evolution reaction electrocatalyst, CFP-200 shows the best electrocatalytic activity among all samples. In 1.0 mol/L KOH electrolyte, the overpotential is 312 mV at a current density of 10 mA/cm2. Therefore, low-temperature heat treatment provides an effective method for preparing low-cost and high-efficiency electrocatalysts. | Wenhui Hu Mingbo Zheng Huiyu Duan Wei Zhu Ying Wei Yi Zhang Kunming Pan Huan Pang | 2022 | Chinese Chemical Letters2022，33，3： | 1 |
| 13 | Study of structure characteristics of the Ga8As8 cluster显示文摘 | Cao Pei-lin Duan Wenhui | 2006 | Physics letters A2006，349，14： | 1 |
| 14 | Heterogeneous relational message passing networks for molecular dynamics simulations显示文摘With many frameworks based on message passing neural networks proposed to predict molecular and bulk properties,machine learning methods have tremendously shifted the paradigms of computational sciences underpinning physics,material science,chemistry,and biology.While existing machine learning models have yielded superior performances in many occasions,most of them model and process molecular systems in terms of homogeneous graph,which severely limits the expressive power for representing diverse interactions.In practice,graph data with multiple node and edge types is ubiquitous and more appropriate for molecular systems.Thus,we propose the heterogeneous relational message passing network(HermNet),an end-to-end heterogeneous graph neural networks,to efficiently express multiple interactions in a single model with ab initio accuracy.HermNet performs impressively against many top-performing models on both molecular and extended systems.Specifically,HermNet outperforms other tested models in nearly 75%,83%and 69%of tasks on revised Molecular Dynamics 17(rMD17),Quantum Machines 9(QM9)and extended systems datasets,respectively.In addition,molecular dynamics simulations and material property calculations are performed with HermNet to demonstrate its performance.Finally,we elucidate how the design of HermNet is compatible with quantum mechanics from the perspective of the density functional theory.Besides,HermNet is a universal framework,whose sub-networks could be replaced by other advanced models. | Zun Wang Chong Wang Sibo Zhao Yong Xu Shaogang Hao Chang Yu Hsieh Bing-Lin Gu Wenhui Duan | 2022 | npj Computational Materials2022，，1： | 1 |
| 15 | Role of symmetry in the transport properties of graphene nanoribbons under bias显示文摘 | Li Zuanyi Duan Wenhui Gu Binglin | | 0，，： | 1 |
| 16 | Realizing the quantum anomalous Hall effect in materials with in-plane magnetization显示文摘When an electric current lows through a conined two-dimensional(2D)electron gas,which is under an external high magnetic ield(H)along the z direction,the magnetic ield will delect the current.A transverse quantized Hall conductance can then be observed across the sample.his efect,known as the quantum Hall efect(QHE),was discovered in 1980 | Peizhe Tang Wenhui Duan | 2014 | National Science Review2014，1，1： | 1 |
| 17 | First-principles study on morphology and mechanical properties of single-walled carbon nanotube 显示文摘 | ZHOU Gang DUAN Wenhui GU Binglin | 2001 | Chem Phys Lett2001，333，： | 1 |
| 18 | Growth of large scale PtTe,PtTe_(2) and PtSe_(2) films on a wide range of substrates显示文摘1T phase of transition metal dichalcogenides(TMDCs)formed by group 10 transition metals(e.g.Pt,Pd)have attracted increasing interests due to their novel properties and potential device applications.Synthesis of large scale thin films with controlled phase is critical especially considering that these materials have relatively strong interlayer interaction and are difficult to exfoliate.Here we report the growth of centimeter-scale PtTe,1T-PtTe2 and 1T-PtSe2 films via direct deposition of Pt metals followed by tellurization or selenization.We find that by controlling the Te flux,a hitherto-unexplored PtTe phase can also be obtained,which can be further tuned into PtTe2 by high temperature annealing under Te flux.These films with different thickness can be grown on a wide range of substrates,including NaCl which can be further dissolved to obtain free-standing PtTe2 or PtSe2 films.Moreover,a systematic thickness dependent resistivity and Hall conductivity measurements show that distinguished from the semiconducting PtSe2 with hole carriers,PtTe2 and PtTe films are metallic.Our work opens new opportunities for investigating the physical properties and potential applications of group 10 TMDC films and the new monochalcogenide PtTe film. | Kenan Zhang Meng Wang Xue Zhou Yuan Wang Shengchun Shen Ke Deng Huining Peng Jiaheng Li Xubo Lai Liuwan Zhang Yang Wu Wenhui Duan Pu Yu Shuyun Zhou | 2021 | Nano Research2021，14，6： | 1 |
| 19 | 2D materials: Rising star for future applications显示文摘Two-dimensional(2D)materials have attracted enormous research interest due to their predominant quantum effects and fascinating materials properties,which potentially lead to various important applications.Meanwhile,the sheer openness of 2D materials makes their interactions with external stimuli particularly efficient.It is much more convenient to modulate the materials properties of 2D systems by mechanical,electronic,optical,and magnetic modulations than in 3D bulks,advantageous for device control. | Xiaolong Zou Yong Xu Wenhui Duan | 2021 | The Innovation2021，2，2： | 0 |
| 20 | Ising Superconductivity and Its Hidden Variants显示文摘CONSPECTUS:The magnetic field usually suppresses superconductivity.Especially,at the critical magnetic field,superconductivity is destroyed.Ising superconductivity is a mechanism where the spin−orbit coupling significantly increases the in-plane critical magnetic field in some two-dimensional superconductors.This Account reviews the recent theoretical and experimental research progresses in Ising superconductivity and its variants.For conventional two-dimensional superconductors,the critical inplane magnetic field is known as the Pauli limit.At the critical field,the spin Zeeman energy is comparable to the superconductivity gap and therefore destroys superconductivity.In contrast,in Ising superconductors,the bands are spin-split and the spins are polarized in the out-of-plane direction.These spin-polarized bands compete with external magnetic field such that superconductivity can survive in a magnetic field which is larger than the Pauli limit.Experimentally,Ising superconductivity is first identified in few layer MoS2 and the critical field in some cases is found to be 5 times larger than the Pauli limit.Ising superconductivity originally requires inversion asymmetric systems where bands are spin-split.However,variants of Ising superconductivity can be realized in inversion symmetric materials where the spin−orbit coupling effects are manifested in a more elusive way.In this Account,Ising superconductivity hidden in the real space and Ising superconductivity hidden in the orbital space are reviewed.Ising superconductivity hidden in the real space relies on the fact that some inversion symmetric materials can be divided into two sectors in the real space.The two sectors are both inversion asymmetric and are weakly interacting with each other.Although the bands in these materials are spin degenerate,the spin up and spin down partner of every band reside in different sectors.Since the spin Zeeman interaction is diagonal in sector space,the induced Zeeman splitting is much smaller in these materials than in free electron gas.Examples of Ising superconductivity hidden in the real space include NbSe2 and TaS2 bilayers,both of which have been confirmed in experiments.Ising superconductivity hidden in the orbital space requires rotationally symmetric materials.In these materials,it is possible that the spin up and spin down partner of spin degenerate bands belong to different atomic orbitals.The spin Zeeman interaction is also diagonal in orbital space,and therefore the Zeeman splitting is reduced for these materials.Experimentally,tin thin films and fewlayer PbTe2 films are experimentally confirmed to have large in-plane critical fields.The above theoretical and experimental research efforts have identified a plethora of Ising superconductors.These superconductors are long-sought candidate materials for devices where superconductivity is needed in magnetic environments. | Chong Wang Yong Xu Wenhui Duan | 2021 | Accounts of Materials Research2021，2，7： | 0 |
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