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Composition Engineering Opens an Avenue Toward Efficient and Sustainable Nitrogen Fixation 被引量:1
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作者 Xiaolin Wang Liming Yang 《Energy & Environmental Materials》 SCIE EI CAS CSCD 2024年第1期313-325,共13页
In this work,we open an avenue toward rational design of potential efficient catalysts for sustainable ammonia synthesis through composition engineering strategy by exploiting the synergistic effects among the active ... In this work,we open an avenue toward rational design of potential efficient catalysts for sustainable ammonia synthesis through composition engineering strategy by exploiting the synergistic effects among the active sites as exemplified by diatomic metals anchored graphdiyne via the combination of hierarchical high-throughput screening,first-principles calculations,and molecular dynamics simulations.Totally 43 highly efficient catalysts feature ultralow onset potentials(|U_(onset)|≤0.40 V)with Rh-Hf and Rh-Ta showing negligible onset potentials of 0 and-0.04 V,respectively.Extremely high catalytic activities of Rh-Hf and Rh-Ta can be ascribed to the synergistic effects.When forming heteronuclears,the combinations of relatively weak(such as Rh)and relatively strong(such as Hf or Ta)components usually lead to the optimal strengths of adsorption Gibbs free energies of reaction intermediates.The origin can be ascribed to the mediate d-band centers of Rh-Hf and Rh-Ta,which lead to the optimal adsorption strengths of intermediates,thereby bringing the high catalytic activities.Our work provides a new and general strategy toward the architecture of highly efficient catalysts not only for electrocatalytic nitrogen reduction reaction(eNRR)but also for other important reactions.We expect that our work will boost both experimental and theoretical efforts in this direction. 展开更多
关键词 composition engineering strategy diatomic catalysts electrocatalytic nitrogen reduction reaction first-principles calculations graphdiyne hierarchical high-throughput screening synergistic effects
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Heterojunction: important strategy for constructing composite photocatalysts 被引量:5
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作者 Xiaohan An Ying Wang +3 位作者 Jinjin Lin Jinni Shen Zizhong Zhang Xuxu Wang 《Science Bulletin》 SCIE EI CAS CSCD 2017年第9期599-601,共3页
As an ideal solution to energy and environment issues,conversion of sunlight into solar fuels by photocatalytic water splitting and greenhouse gas(CO_2)reduction has attracted keen research interest of multi-field sci... As an ideal solution to energy and environment issues,conversion of sunlight into solar fuels by photocatalytic water splitting and greenhouse gas(CO_2)reduction has attracted keen research interest of multi-field scientists.In the past four decades,a large number of semiconductor photocatalysts have been 展开更多
关键词 Heterojunction:important strategy for constructing composite photocatalysts
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A composite strategy to fabricate high-performance biodegradable stents for tissue regeneration 被引量:2
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作者 Jiandong Ding 《Science China Materials》 SCIE EI CSCD 2018年第8期1132-1134,共3页
While most of the present medical implants are nonbiodegradable,biodegradable materials are thought to replace many nonbiodegradable ones in the future,which is dependent on development of the corresponding core techn... While most of the present medical implants are nonbiodegradable,biodegradable materials are thought to replace many nonbiodegradable ones in the future,which is dependent on development of the corresponding core techniques of biomaterials[1-4].Much progress has been made in the field of biodegradable materials during the last decade[5-7]. 展开更多
关键词 A composite strategy to fabricate high-performance biodegradable stents for tissue regeneration
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