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| 1 | Trade-offs and Synergies of Ecosystem Services in Karst Area of China Driven by Grain-for-Green Program显示文摘As an important means regulating the relationship between human and natural ecosystem,ecological restoration program plays a key role in restoring ecosystem functions.The Grain-for-Green Program(GFGP,One of the world’s most ambitious ecosystem conservation set-aside programs aims to transfer farmland on steep slopes to forestland or grassland to increase vegetation coverage)has been widely implemented from 1999 to 2015 and exerted significant influence on land use and ecosystem services(ESs).In this study,three ecological models(In VEST,RUSLE,and CASA)were used to accurately calculate the three key types of ESs,water yield(WY),soil conservation(SC),and net primary production(NPP)in Karst area of southwestern China from 1982 to 2015.The impact of GFGP on ESs and trade-offs was analyzed.It provides practical guidance in carrying out ecological regulation in Karst area of China under global climate change.Results showed that ESs and trade-offs had changed dramatically driven by GFGP.In detail,temporally,SC and NPP exhibited an increasing trend,while WY exhibited a decreasing trend.Spatially,SC basically decreased from west to east;NPP basically increased from north to south;WY basically increased from west to east;NPP and SC,SC and WY developed in the direction of trade-offs driven by the GFGP,while NPP and WY developed in the direction of synergy.Therefore,future ecosystem management and restoration policy-making should consider trade-offs of ESs so as to achieve sustainable provision of ESs. | WANG Xiaofeng ZHANG Xinrong FENG Xiaoming LIU Shirong YIN Lichang CHEN Yongzhe | 2020 | Chinese Geographical Science2020，30，1： | 8 |
| 2 | Role of Co in formation of Ni-Ti clusters in maraging stainless steel显示文摘The effect of Co addition on the formation of Ni-Ti clusters in maraging stainless steel was studied by three dimensional atom probe(3 DAP) and first-principles calculation. The cluster analysis based on the maximum separation approach showed an increase in size but a decrease in density of Ni-Ti clusters with increasing the Co content. The first-principles calculation indicated weaker Co-Ni(Co-Ti) interactions than Co-Ti(Fe-Ti) interactions, which should be the essential reason for the change of distribution characteristics of Ni-Ti clusters in bcc Fe caused by Co addition. | Jialong Tian M.Babar Shahzad Wei Wang Lichang Yin Zhouhua Jiang Ke Yang | 2018 | Journal of Materials Science & Technology2018，34，9： | 4 |
| 3 | Nodeless superconductivity in the kagome metal CsV_(3)Sb_(5)显示文摘The recently discovered kagome metal series AV3Sb5(A=K, Rb, Cs) exhibits topologically nontrivial band structures, chiral charge order and superconductivity, presenting a unique platform for realizing exotic electronic states. The nature of the superconducting state and the corresponding pairing symmetry are key questions that demand experimental clarification. Here, using a technique based on the tunneling diode oscillator, the magnetic penetration depth ?λ(T) of CsV3Sb5 was measured down to 0.07 K. A clear exponential behavior in ?λ(T) with marked deviations from a T or T2 temperature dependence was observed at low temperatures, indicating an absence of nodal quasiparticles. Temperature dependence of the superfiuid density and electronic specific heat can be described by two-gap s-wave superconductivity, consistent with the presence of multiple Fermi surfaces in CsV3Sb5. These results evidence nodeless superconductivity in CsV3Sb5 under ambient pressure, and constrain the allowed pairing symmetry. | Weiyin Duan Zhiyong Nie Shuaishuai Luo Fanghang Yu Brenden R.Ortiz Lichang Yin Hang Su Feng Du An Wang Ye Chen Xin Lu Jianjun Ying Stephen DWilson Xianhui Chen Yu Song Huiqiu Yuan | 2021 | Science China(Physics,Mechanics & Astronomy)2021，64，10： | 3 |
| 4 | Superconducting gap evolution of kagome metal CsV3Sb5 under pressure显示文摘Kagome superconductors AV3Sb5(A=Cs,V,Sb) have served as an ideal platform to unveil the intriguing competitions between charge-density-wave(CDW),superconductivity and possible nontrivial topological states.We report soft point-contact spectroscopy(SPCS) studies on CsV3Sb5under pressure up to 2.5 GPa.Its superconducting transition temperature Tcand gaps for SPCS at pressure P=0.1 GPa suggest the absence of the adverse local strain effect as observed in point-contacts at ambient pressure,while the SPCS-determined Tcunder hydrostatic pressure deviates from the reported double dome feature below 2.5 GPa.Three distinct gap values in CsV3Sb5are proposed to exist through the whole pressure range with 2Δ1/kBTc≤1,2Δ2/kBTc~2.3-3.0 and 2Δ3/kBTc>3.5.The two smaller gaps for 2Δ1/kBTc≤1 and 2Δ2/kBTc~2.3-3.0 are robust under pressure,while there is no trace of the largest gap 2Δ3/kBTc>3.5 for SPCS in the c direction with P≤P1=0.7 GPa and P≥ P2=2.0 GPa and it becomes observable in the pressure range of(P1,P2),suggesting a complex relation between CDW and superconductivity between(P1,P2). | Dongting Zhang Chufan Chen Lichang Yin Yan'En Huang Fengrui Shi Yi Liu Xiaofeng Xu Huiqiu Yuan Xin Lu | 2023 | Science China(Physics,Mechanics & Astronomy)2023，66，2： | 2 |
| 5 | Multiatom activation of single-atom electrocatalysts via remote coordination for ultrahigh-rate two-electron oxygen reduction显示文摘Electrocatalytic oxygen reduction via a two-electron pathway(2e^(-)-ORR)is a promising and eco-friendly route for producing hydrogen peroxide(H_(2)O_(2)).Single-atom catalysts(SACs)typically show excellent selectivity towards 2e^(-)-ORR due to their unique electronic structures and geometrical configurations.The very low density of single-atom active centers,however,often leads to unsatisfactory H_(2)O_(2)yield rate,significantly inhibiting their practical feasibility.Addressing this,we herein introduce fluorine as a secondary doping element into conventional SACs,which does not directly coordinate with the singleatom metal centers but synergize with them in a remote manner.This strategy effectively activates the surrounding carbon atoms and converts them into highly active sites for 2e^(-)-ORR.Consequently,a record-high H_(2)O_(2)yield rate up to 27 mol g^(-1)h^(-1)has been achieved on the Mo–F–C catalyst,with high Faradaic efficiency of 90%.Density functional theory calculations further confirm the very kinetically facile 2e^(-)-ORR over these additional active sites and the superiority of Mo as the single-atom center to others.This strategy thus not only provides a high-performance electrocatalyst for 2e^(-)-ORR but also should shed light on new strategies to significantly increase the active centers number of SACs. | Xiaoqing Liu Rui Chen Wei Peng Lichang Yin De'an Yang Feng Hou Liqun Wang Ji Liang | 2023 | Journal of Energy Chemistry2023，，1： | 1 |
| 6 | Thermodynamically tuning LiBH4 by fluorine anion doping for hydrogen storage:a density functional study显示文摘 | Yin Lichang Wang Ping Fang Zhanzhao | 2008 | Chemical Physics Letters2008，450，456： | 1 |
| 7 | a-sulfur crys- tals as a visible-light-active photocatalyst 显示文摘 | Liu Gang Niu Ping Yin Lichang | 2012 | J Am Chem Soc2012，134，22： | 1 |
| 8 | Capillary infiltration of liquid silicon in carbon nanotubes:A molecular dynamics simulation显示文摘In this work,by simplifying the nanopores of porous C/C preform with single-walled carbon nanotubes(SWCNT)or double-walled carbon nanotubes(DWCNTs),the infiltration of liquid Si in the SWCNTs and DWCNTs was studied by molecular dynamics(MD)simulations.As a result,a quantitative relationship between tube diameter and liquid Si infiltration rate was established,which has been successfully ap-plied to reproduce the available experiment result.The obtained relationship indicates that the capillary infiltration of liquid Si at the nanoscale still conforms to the classic Lucas-Washburn law,however,the liquid Si infiltration quickly stops in small tubes with a diameter of less than 3 nm due to an obvious contraction of the tube wall.This work may provide theoretical guidance for pore structure optimization of porous C/C preform to fabricate high-density C/SiC composites. | Kangyu Zhang Rida Zhao Yongqiang Yang Lichang Yin Sufang Tang | 2023 | Journal of Materials Science & Technology2023，，13： | 0 |
| 9 | Tuning precise numbers of supported nickel clusters on graphdiyne for efficient CO_(2)electroreduction toward various multi-carbon products显示文摘Compared to single-atom catalysts,supported metal clusters can exhibit enhanced activity and designated selectivity in heterogeneous catalysis due to their unique geometric and electronic features.Herein,by means of comprehensive density functional theory (DFT) computations,we systematically investigated the potential of several Ni clusters supported on graphdiyne (Ni_(x)/GDY,x=1–6) for CO_(2) reduction reaction (CO_(2)RR).Our results revealed that,due to the strong interaction between Ni atoms and sp-hybridized C atoms,these supported Ni clusters on GDY exhibit high stabilities and excellent electronic properties.In particular,according to the computed free energy profiles for CO_(2)RR on these Ni_(x)/GDY systems,the anchored Ni_(4) cluster was revealed to exhibit high CO_(2)RR catalytic activity with a small limiting potential and moderate kinetic barrier for C–C coupling,and CH_(4),C_(2)H_(5)OH,and C_(3)H_(7)OH were identified as the main products,which can be attributed to its strong capacity for CO_(2) activation due to its unique configuration and excellent electronic properties.Thus,by carefully controlling the precise numbers of atoms in sub-nano clusters,the spatially confined Ni clusters can perform as promising CO_(2)RR catalysts with high-efficiency and high-selectivity,which may provide a useful guidance to further develop novel and low-cost metal clusters-based catalysts for sustain CO_(2)conversion to valuable chemicals and fuels. | Meiqi Yang Zhongxu Wang Dongxu Jiao Yu Tian Yongchen Shang Lichang Yin Qinghai Cai Jingxiang Zhao | 2022 | Journal of Energy Chemistry2022，31，6： | 0 |
| 10 | High-rate electrochemical H_(2)O_(2) production over multimetallic atom catalysts under acidic–neutral conditions显示文摘Hydrogen peroxide(H_(2)O_(2))production by the electrochemical 2-electron oxygen reduction reaction(2e−ORR)is a promising alternative to the energy-intensive anthraquinone process,and single-atom electrocatalysts show the unique capability of high selectivity toward 2e−ORR against the 4e−one.The extremely low surface density of the single-atom sites and the inflexibility in manipulating their geometric/electronic configurations,however,compromise the H_(2)O_(2) yield and impede further performance enhancement.Herein,we construct a family of multiatom catalysts(MACs),on which two or three single atoms are closely coordinated to form high-density active sites that are versatile in their atomic configurations for optimal adsorption of essential*OOH species.Among them,the Cox–Ni MAC presents excellent electrocatalytic performance for 2e−ORR,in terms of its exceptionally high H_(2)O_(2) yield in acidic electrolytes(28.96 mol L^(−1) gcat.^(−1) h^(−1))and high selectivity under acidic to neutral conditions in a wide potential region(>80%,0–0.7 V).Operando X-ray absorption and density functional theory analyses jointly unveil its unique trimetallic Co2NiN8 configuration,which efficiently induces an appropriate Ni–d orbital filling and modulates the*OOH adsorption,together boosting the electrocatalytic 2e−ORR capability.This work thus provides a new MAC strategy for tuning the geometric/electronic structure of active sites for 2e−ORR and other potential electrochemical processes. | Yueyu Tong Jiaxin Liu Bing-Jian Su Jenh-Yih Juang Feng Hou Lichang Yin Shi Xue Dou Ji Liang | 2024 | Carbon Energy2024，6，1： | 0 |
| 11 | Efficient electrochemical reduction of CO to C_(2) products on the transition metal and boron co-doped black phosphorene显示文摘The synthesis of high-value multi-carbon products through the electrochemical reduction of carbon monoxide(COER) is one of the promising avenues for carbon utilization and energy storage,in which searching for efficient electrocatalysts that exhibit moderate CO intermediate binding strength and low kinetic barrier for C-C coupling is a key issue.Herein,by means of comprehensive density functional theory(DFT) computations,we theoretically designed three synergistic coupling catalysts by co-doping transition metal(TM=Fe,Co and Ni) and boron(B) into the two-dimensional black phosphorene(BP),namely TMB@BP for COER to C_(2) products.DFT computations and ab initio molecular dynamics simulations reveal the good stability and high feasibility of these proposed TM-B@BP catalysts for practical applications and future experimental synthesis.More interestingly,high-value ethylene(C_(2)H_(4)),ethane(C_(2)H_(6)) and ethanol(C_(2)H_(5)OH) products can be obtained on these three designed electrocatalysts with ultra-small limiting potentials(-0.20~-0.41 V) and low kinetic energy barriers of C-C coupling(0.52~0.91 eV).Meanwhile,the competitive one-carbon(C_(1)) products and hydrogen evolution reaction can also be effectively suppressed.The promising activity and selectivity of these three designed electrocatalysts render them ideal candidates for CO electroreduction,thus providing a cost-effective opportunity to achieve a sustainable production of high value C_(2) chemicals and fuels. | Lingyi Kong Zhe Chen Qinghai Cai Lichang Yin Jingxiang Zhao | 2022 | Chinese Chemical Letters2022，33，4： | 0 |
| 12 | Accurate structural descriptor enabled screening for nitrogen and oxygen vacancy codoped TiO_(2) with a large bandgap narrowing显示文摘Nitrogen(N)doping has been widely adopted to improve the light absorption of TiO_(2).However,the newly introduced N-2p states are largely localized thus barely overlap with O-2p states in the valence band of TiO_(2),resulting in a shoulder-like absorption edge.To realize an apparent overlap between N-2p and O-2p states,charge compensation between N^(3-)and O^(2-)via electron transfer from oxygen vacancies(VO)to N dopants is one possible strategy.To verify this,in numerous doping configurations of N/VO-codoped anatase TiO_(2),we identified two types of VOposition independent N-dopant spatial orderings by efficient screening enabled with a newly designed structural descriptor.Compared with others,these two types of the N-dopant spatial orderings are highly beneficial for charge compensation to produce an apparent overlap between N-2p and O-2p states,therefore achieving a large bandgap narrowing.Furthermore,the two types of the N-dopant spatial orderings can also be generalized to N/VO-codoped rutile TiO_(2)for bandgap narrowing. | Kangyu Zhang Lichang Yin Gang Liu Hui-Ming Cheng | 2022 | Journal of Materials Science & Technology2022，，27： | 0 |
| 13 | Achieving efficient N_(2)electrochemical reduction by stabilizing the N2H*intermediate with the frustrated Lewis pairs显示文摘Electrocatalytic nitrogen reduction reaction(eNRR)with sustainable energy under ambient conditions represents an attractive approach to producing ammonia,but the design of the-state-of-the-art electrocatalyst with high efficiency and selectivity still faces formidable challenges.In contrast to traditional eNRR catalyst design strategies focusing on N≡N triple bond activation,we herein theoretically proposed an alternative strategy to improve eNRR performance via stabilizing the N_(2)H^(*)intermediate using catalysts with the frustrated Lewis pairs(FLPs),i.e.,transition metal(TM)atoms and boron(B)atom co-doped 2D black phosphorus(TM-B@BP).Our density functional theory(DFT)results reveal that the TM atom donates electrons to the adsorbed N_(2)molecule,while B atom provides empty orbital to stabilize the adsorption of N_(2)H^(*)intermediate.This framework successfully identifies five promising candidates(i.e.,Ti-B@BP,V-B@BP,Cr-B@BP,Mn-B@BP and Fe-B@BP)with low theoretical limiting potentials(−0.60,−0.41,−0.45,−0.43 and−0.50 V,respectively)and high selectivity for eNRR.We believe that the intermediate stabilization strategy introduced in current work offers a new opportunity to achieve accelerated and cost-effective ammonia synthesis with electrocatalysis. | Zhe Chen Jingxiang Zhao Yan Jiao Tao Wang Lichang Yin | 2022 | Journal of Energy Chemistry2022，31，3： | 0 |
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