Search Results - "Houyu Zhu"

Metallic Iron–Nickel Sulfide Ultrathin Nanosheets As a Highly Active Electrocatalyst for Hydrogen Evolution Reaction in Acidic Media by Long, Xia, Li, Guixia, Wang, Zilong, Zhu, HouYu, Zhang, Teng, Xiao, Shuang, Guo, Wenyue, Yang, Shihe

“…We report on the synthesis of iron-nickel sulfide (INS) ultrathin nanosheets by topotactic conversion from a hydroxide precursor. The INS nanosheets exhibit…”
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Porous Carbon Materials Based on Graphdiyne Basis Units by the Incorporation of the Functional Groups and Li Atoms for Superior CO2 Capture and Sequestration by Dang, Yong, Guo, Wenyue, Zhao, Lianming, Zhu, Houyu

“…The graphdiyne family has attracted a high degree of concern because of its intriguing and promising properties. However, graphdiyne materials reported to date…”
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Inter-site structural heterogeneity induction of single atom Fe catalysts for robust oxygen reduction by Zhang, Peng, Chen, Hsiao-Chien, Zhu, Houyu, Chen, Kuo, Li, Tuya, Zhao, Yilin, Li, Jiaye, Hu, Ruanbo, Huang, Siying, Zhu, Wei, Liu, Yunqi, Pan, Yuan

“…Metal-nitrogen-carbon catalysts with hierarchically dispersed porosity are deemed as efficient geometry for oxygen reduction reaction (ORR). However, catalytic…”
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Identifying the functional groups effect on passivating perovskite solar cells by Xie, Jiangsheng, Yan, Keyou, Zhu, Houyu, Li, Guixia, Wang, Han, Zhu, Hepeng, Hang, Pengjie, Zhao, Shenghe, Guo, Wenyue, Ye, Daiqi, Shao, Lei, Guan, Xin, Ngai, To, Yu, Xuegong, Xu, Jianbin

“…[Display omitted] Many organic molecules with various functional groups have been used to passivate the perovskite surface for improving the efficiency and…”
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Reaction environment self-modification on low-coordination Ni2+ octahedra atomic interface for superior electrocatalytic overall water splitting by Sun, Kaian, Zhao, Lei, Zeng, Lingyou, Liu, Shoujie, Zhu, Houyu, Li, Yanpeng, Chen, Zheng, Zhuang, Zewen, Li, Zhaoling, Liu, Zhi, Cao, Dongwei, Zhao, Jinchong, Liu, Yunqi, Pan, Yuan, Chen, Chen

“…Large scale synthesis of high-efficiency bifunctional electrocatalyst based on cost-effective and earth-abundant transition metal for overall water splitting…”
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First-Principles Study of Stability and N2 Activation on the Octahedron RuRh Clusters by Nan Zhang, Lixia Ma, Luo Huang, Houyu Zhu, Ruibin Jiang

“…The geometric and electronic structures of different octahedron RuRh clusters are studied using density functional theory calculations. The binding energy,…”
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Theoretical Investigation on Denitrification Mechanism of Piperidine: Effects of Methylation Versus Protonation on C–N Bond Activation by Zhu, Houyu, Li, Guixia, Gong, Yongqing, Li, Xin, Ding, Xuefei, Lu, Xiaoqing, Zhao, Lianming, Chi, Yuhua, Guo, Wenyue

“…The denitrification mechanisms of piperidine, 2-methylpiperidine (2-MP), and 2,6-dimethylpiperidine (2,6-DMP) on MoP(001) were studied using self-consistent…”
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Density Functional Theory Study of the Adsorption and Desulfurization of Thiophene and Its Hydrogenated Derivatives on Pt(111): Implication for the Mechanism of Hydrodesulfurization over Noble Metal Catalysts by Zhu, Houyu, Guo, Wenyue, Li, Ming, Zhao, Lianming, Li, Shaoren, Li, Yang, Lu, Xiaoqing, Shan, Honghong

“…Desulfurization of thiophene and its hydrogenated derivatives on Pt(111) are studied using self-consistent periodic density functional theory (DFT), and the…”
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Methanol dehydrogenation on Rh(1 1 1): A density functional and microkinetic modeling study by Jiang, Ruibin, Guo, Wenyue, Li, Ming, Zhu, Houyu, Zhao, Lianming, Lu, Xiaqing, Shan, Honghong

“…[Display omitted] ► Rh(1 1 1)-catalyzed methanol dehydrogenation is studied using theory modeling. ► The reaction mechanism is identified under two different…”
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Density Functional Theory Study of Methanol Steam Reforming on Pt3Sn(111) and the Promotion Effect of a Surface Hydroxy Group by He, Ping, Zhu, Houyu, Sun, Qianyao, Li, Ming, Liu, Dongyuan, Li, Rui, Lu, Xiaoqing, Zhao, Wen, Chi, Yuhua, Ren, Hao, Guo, Wenyue

“…Methanol steam reforming (MSR) is studied on a Pt3Sn surface using the density functional theory (DFT). An MSR network is mapped out, including several…”
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Theoretical insight into the desulfurization of thiophene on Pt(110): A density functional investigation by Zhu, Houyu, Lu, Xiaoqing, Guo, Wenyue, Li, Longfei, Zhao, Lianming, Shan, Honghong

“…[Display omitted] ► Upright and Flat adsorption modes were observed for thiophene on Pt(110). ► C4H4S distortion was linked with HOMO–LUMO gap and interaction…”
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Initial Hydrogenations of Pyridine on MoP(001): A Density Functional Study by Li, Yang, Guo, Wenyue, Zhu, Houyu, Zhao, Lianming, Li, Ming, Li, Shaoren, Fu, Dianling, Lu, Xiaoqing, Shan, Honghong

“…The initial hydrogenations of pyridine on MoP(001) with various hydrogen species are studied using self-consistent periodic density functional theory (DFT)…”
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Decomposition of Methanthiol on Pt(111): A Density Functional Investigation by Zhu, Houyu, Guo, Wenyue, Jiang, Ruibin, Zhao, Lianming, Lu, Xiaoqing, Li, Ming, Fu, Dianling, Shan, Honghong

“…Decomposition of methanthiol on Pt(111) is systematically investigated using self-consistent periodic density functional theory (DFT), and the decomposition…”
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Proximity Electronic Effect of Ni/Co Diatomic Sites for Synergistic Promotion of Electrocatalytic Oxygen Reduction and Hydrogen Evolution by Li, Min, Zhu, Houyu, Yuan, Qing, Li, Tuya, Wang, Minmin, Zhang, Peng, Zhao, Yilin, Qin, Donglin, Guo, Wenyue, Liu, Bin, Yang, Xuan, Liu, Yunqi, Pan, Yuan

“…The modulation effect manifests an encouraging potential to enhance the performance of single‐atom catalysts; however, the in‐depth study about this effect for…”
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Molecular simulation of CO2/CH4 adsorption in brown coal: Effect of oxygen-, nitrogen-, and sulfur-containing functional groups by Dang, Yong, Zhao, Lianming, Lu, Xiaoqing, Xu, Jing, Sang, Pengpeng, Guo, Sheng, Zhu, Houyu, Guo, Wenyue

“…The preferential adsorption of CO2 than CH4 in brown coal is strengthened by the electrostatic interactions and high-density oxygen-containing, pyridine, and…”
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Unified properties of a weakly interacting Fermi gas in a weak magnetic field by Men, FuDian, Liu, Hui, Zhu, HouYu

“…When the orbital motion and the spin motion of particles were considered simultaneously, the thermodynamic potential function of a weakly interacting Fermi gas…”
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CO2-favored metal–organic frameworks SU-101(M) (M = Bi, In, Ga, and Al) with inverse and high selectivity of CO2 from C2H2 and C2H4 by Hao, Chunlian, Ren, Hao, Zhu, Houyu, Chi, Yuhua, Zhao, Wen, Liu, Xiuping, Guo, Wenyue

“…The retainment of coordinated water molecules on metal centers in SU-101(M) materials, especially SU-101(Al), significantly enhances the CO2/C2H2 and CO2/C2H4…”
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Enhancing the Photoinduced Interlayer Charge Transfer and Spatial Separation in Type-II Heterostructure of WS2 and Asymmetric Janus-MoSSe with Intrinsic Self-Build Electric Field by Ma, Hao, Wang, Zhengjie, Zhao, Wen, Ren, Hao, Zhu, Houyu, Chi, Yuhua, Guo, Wenyue

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ZnO monolayer supported single atom catalysts for efficient nitrogen electroreduction to ammonia by Yuan, Saifei, Ren, Hao, Meng, Guodong, Zhao, Wen, Zhu, Houyu, Guo, Wenyue

“…[Display omitted] •Systematic theoretical studies were performed to screen efficient electrocatalysts for nitrogen reduction reaction (NRR) among 17 candidates…”
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Importance of metal-oxide interfaces in heterogeneous catalysis: A combined DFT, microkinetic, and experimental study of water-gas shift on Au/MgO by Zhao, Zhi-Jian, Li, Zhenglong, Cui, Yanran, Zhu, Houyu, Schneider, William F., Delgass, W. Nicholas, Ribeiro, Fabio, Greeley, Jeffrey

“…[Display omitted] •Mechanistic insights into the water-gas shift reaction at metal/oxide interfaces.•Acceleration of water-gas shift at Au/MgO…”
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