NSTL国家科技图书文献中心

1. Thermodynamics of CO Adsorption on Electrodes and Its Implications for Selectivity Control in Electrochemical CO 2 Reduction NSTL国家科技图书文献中心

Xu, Yifei | Xu, Bingjun - 《ACS catalysis》 - 2025,15(10) - 7934～7943 - 共10页

摘要： cycle. The thermodynamics of CO adsorption, e.g., the | enthalpy and entropy of CO adsorption* at electrochemical* | from the thermodynamics of CO adsorption* on catalyst* | surfaces, and discusses the factors beyond CO adsorption | CO binding energy, has been proposed and employed

关键词： electrochemical CO2 reduction | CO adsorption | cation effect | electric double layer | multipleactive sites

2. Prediction of the enhanced performance of Cu(I)-modified porous materials towards CO adsorption by using tree-based machine learning models NSTL国家科技图书文献中心

Wenyuan Tao | Yongjie Cui ... - 《Separation and Purification Technology》 - 2025,359P3 - 130850～11 - 共11页

摘要： application prospects in the field of CO adsorption* by* | and CO adsorption,giving valuable suggestions for | CO adsorption* performance of various porous* | classify support types,with excellent CO adsorption | ),achieving accurate predictions of CO adsorption

关键词： Machine learning | Tree-based model | Cu(I)-modified adsorbent | CO adsorption | Principal component analysis

3. Tailored alcohol distribution by non-dissociated CO adsorption strength on engineered Cu sites in syngas conversion NSTL国家科技图书文献中心

Ping, Qi | Zhu, Yanru ... - 《Journal of Catalysis》 - 2025,442 - 共12页 - 被引量：1

摘要：-dissociated CO adsorption* has been tailored by atomic-Cu-1* | + alcohol. A strong adsorption* of non-dissociated CO* | adsorption of non-dissociated CO occurs on ensemble-Cu-n | conversion by changing the adsorption* strength of non* | -dissociated CO on engineered Cu sites. The strength of non

关键词： Distribution of alcohol | Adsorption strength of non-dissociated CO | Atomic-Cu (1) | Ensemble-Cu- n | Conversion of syngas

4. Rigid shell and flexible pore for highly efficient and reversible sulfur-carbon co-adsorption by hierarchical porous Mg-gallate@Poly(acrylate) NSTL国家科技图书文献中心

Pu Wang | Ziqi Ma ... - 《Separation and Purification Technology》 - 2025,359P1 - 130550～8 - 共8页

摘要： reason for the sulfur-carbon co-adsorption* of this* | -carbon co-adsorption. | development of a high-performance sulfur-carbon co | -adsorption* material is essential for the simultaneous* | equivalent CO2 adsorption* capacity to Mg-gallate powder and*

关键词： Mg-gallate@Poly(acrylate) | Sulfur-carbon co-adsorption | Structure coupling and functional composition | Self-nanocrystallization

5. Proximity Efects in Electronic Metal-Support Interactions:O-Vacancy Formation and CO Adsorption on Ru/ZrO2 Model Catalysts NSTL国家科技图书文献中心

Mengru Li | Axel Gross ... - 《ACS catalysis》 - 2025,15(9) - 7153～7179 - 共27页

摘要： the support to the metal,and on CO adsorption* on the* | neighboring O-vacancies.The CO adsorption* energy can be* | direct interactions between CO and partly reduced Zr | ,depending on the adsorption* site and on the number and* | completely describe the adsorption* properties by using the*

关键词： catalysis | adsorption | vacancy formation | electronic metal-support interactions | DFT calculations | Ru,ZrO2 | CO

6. Understanding the co-adsorption mechanism between nanoplastics and neonicotinoid insecticides from an atomistic perspective NSTL国家科技图书文献中心

Garcia-Hernandez, Er... | Torres, F. Javier ... - 《Journal of molecular modeling》 - 2025,31(5) - 共12页

摘要： were applied to elucidate the co-adsorption* mechanism* | dispersion interactions dominate adsorption, contributing | matrices. Adsorption* energies span the range from - 18.32* | Context Density functional theory calculations | of different nanoplastic-neonicotinoid insecticides

关键词： Nanoplastics | DFT calculations | Neonicotinoid insecticides | Co-transport

7. Mixed CO adsorption modes induced by lattice strain to facilitate C-C coupling during electrochemical CO reduction NSTL国家科技图书文献中心

Li, Yangfan | Huang, Xingmiao ... - 《Applied Catalysis,B.Environmental》 - 2025,361 - 共11页

摘要：+) products in electrochemical CO reduction when compared to | reveal that the lattice strain affects the adsorption | modes of CO and thereby the pathway of C-C coupling | . Importantly, C-C coupling that occurs between CO molecules | with mixed adsorption* modes is more favorable, thus*

关键词： CO reduction | C-C coupling | Derived copper | IR spectroscopy | Lattice strain | CO2 reduction

8. Co-adsorption of O and Cl on Ti(0001) surface: A microscopic study by DFT and AIMD NSTL国家科技图书文献中心

Feng, B. Y. | Liu, R.... - 《Computational Materials Science》 - 2025,249 - 共9页

摘要：The co-adsorption* mechanism of O and Cl on Ti* | co-corrosion model of O and Cl on Ti surface under | , adsorption* process and atomic bonding interaction of O and* | adsorption results are consistent with the observed | interaction between Cl, O and Ti during the co-corrosion

关键词： Titanium | Corrosion | Active oxidation | Surface diffusion | Density functional theory (DFT)

9. Atomically Dispersed Scandium in Cuprous Oxide Weakens *CO Adsorption to Boost Carbon Dioxide Electroreduction Toward C_2 Products NSTL国家科技图书文献中心

Rongzhen Chen | Yuhang Jiang ... - 《Advanced functional materials》 - 2025,35(9) - 2415940.1～2415940.8 - 共8页

摘要： dispersed Cu_2O can weaken the CO adsorption* on the* | CC coupling to form C_2 products, CO intermediate* | Copper (Cu) is a promising metal for | electrochemical CO_2 reduction reaction (eCO_2RR) to value-added | C_2 products. However, as the key intermediate for

关键词： C_2 products | carbon dioxide reduction | electrocatalysis | scandium

10. Modulating *CO adsorption configuration over the CuPd/Cu interfaces to improve C-C coupling for enhanced acetate production NSTL国家科技图书文献中心

Wei, Wei | Li, Zhenyao ... - 《Applied Catalysis,B.Environmental》 - 2025,371 - 共8页

摘要： alloy promotes CO adsorption* and hydrogenation* | The selective electrochemical reduction of CO | selectivity of CO-toC2+ products conversion remain low due | interface for the CO reduction reaction (CORR). The CuPd | to valuable multi-carbon (C2 +) products is a key

摘要： cycle. The thermodynamics of CO adsorption, e.g., the | enthalpy and entropy of CO adsorption* at electrochemical* | from the thermodynamics of CO adsorption* on catalyst* | surfaces, and discusses the factors beyond CO adsorption | CO binding energy, has been proposed and employed

关键词： electrochemical CO2 reduction | CO adsorption | cation effect | electric double layer | multipleactive sites

摘要： application prospects in the field of CO adsorption* by* | and CO adsorption,giving valuable suggestions for | CO adsorption* performance of various porous* | classify support types,with excellent CO adsorption | ),achieving accurate predictions of CO adsorption

关键词： Machine learning | Tree-based model | Cu(I)-modified adsorbent | CO adsorption | Principal component analysis

关键词： Distribution of alcohol | Adsorption strength of non-dissociated CO | Atomic-Cu (1) | Ensemble-Cu- n | Conversion of syngas

摘要： reason for the sulfur-carbon co-adsorption* of this* | -carbon co-adsorption. | development of a high-performance sulfur-carbon co | -adsorption* material is essential for the simultaneous* | equivalent CO2 adsorption* capacity to Mg-gallate powder and*

关键词： Mg-gallate@Poly(acrylate) | Sulfur-carbon co-adsorption | Structure coupling and functional composition | Self-nanocrystallization

关键词： catalysis | adsorption | vacancy formation | electronic metal-support interactions | DFT calculations | Ru,ZrO2 | CO

摘要： were applied to elucidate the co-adsorption* mechanism* | dispersion interactions dominate adsorption, contributing | matrices. Adsorption* energies span the range from - 18.32* | Context Density functional theory calculations | of different nanoplastic-neonicotinoid insecticides

关键词： Nanoplastics | DFT calculations | Neonicotinoid insecticides | Co-transport

摘要：+) products in electrochemical CO reduction when compared to | reveal that the lattice strain affects the adsorption | modes of CO and thereby the pathway of C-C coupling | . Importantly, C-C coupling that occurs between CO molecules | with mixed adsorption* modes is more favorable, thus*

关键词： CO reduction | C-C coupling | Derived copper | IR spectroscopy | Lattice strain | CO2 reduction

摘要：The co-adsorption* mechanism of O and Cl on Ti* | co-corrosion model of O and Cl on Ti surface under | , adsorption* process and atomic bonding interaction of O and* | adsorption results are consistent with the observed | interaction between Cl, O and Ti during the co-corrosion

关键词： Titanium | Corrosion | Active oxidation | Surface diffusion | Density functional theory (DFT)

摘要： dispersed Cu_2O can weaken the CO adsorption* on the* | CC coupling to form C_2 products, CO intermediate* | Copper (Cu) is a promising metal for | electrochemical CO_2 reduction reaction (eCO_2RR) to value-added | C_2 products. However, as the key intermediate for

关键词： C_2 products | carbon dioxide reduction | electrocatalysis | scandium

摘要： alloy promotes CO adsorption* and hydrogenation* | The selective electrochemical reduction of CO | selectivity of CO-toC2+ products conversion remain low due | interface for the CO reduction reaction (CORR). The CuPd | to valuable multi-carbon (C2 +) products is a key

关键词： CO electroreduction | Heterogeneous interfaces | Asymmetric C-C coupling | Multi-carbon products | Acetate

4008-161-200 800-990-8900

国家科技图书文献中心

摘要： cycle. The thermodynamics of CO adsorption, e.g., the | enthalpy and entropy of CO adsorption at electrochemical | from the thermodynamics of CO adsorption on catalyst | surfaces, and discusses the factors beyond CO adsorption | CO binding energy, has been proposed and employed

关键词： electrochemical CO2 reduction | CO adsorption | cation effect | electric double layer | multipleactive sites

摘要： application prospects in the field of CO adsorption by | and CO adsorption,giving valuable suggestions for | CO adsorption performance of various porous | classify support types,with excellent CO adsorption | ),achieving accurate predictions of CO adsorption

关键词： Machine learning | Tree-based model | Cu(I)-modified adsorbent | CO adsorption | Principal component analysis

关键词： Distribution of alcohol | Adsorption strength of non-dissociated CO | Atomic-Cu (1) | Ensemble-Cu- n | Conversion of syngas

摘要： reason for the sulfur-carbon co-adsorption of this | -carbon co-adsorption. | development of a high-performance sulfur-carbon co | -adsorption material is essential for the simultaneous | equivalent CO2 adsorption capacity to Mg-gallate powder and

关键词： Mg-gallate@Poly(acrylate) | Sulfur-carbon co-adsorption | Structure coupling and functional composition | Self-nanocrystallization

摘要： the support to the metal,and on CO adsorption on the | neighboring O-vacancies.The CO adsorption energy can be | direct interactions between CO and partly reduced Zr | ,depending on the adsorption site and on the number and | completely describe the adsorption properties by using the

关键词： catalysis | adsorption | vacancy formation | electronic metal-support interactions | DFT calculations | Ru,ZrO2 | CO

摘要： were applied to elucidate the co-adsorption mechanism | dispersion interactions dominate adsorption, contributing | matrices. Adsorption energies span the range from - 18.32 | Context Density functional theory calculations | of different nanoplastic-neonicotinoid insecticides

关键词： Nanoplastics | DFT calculations | Neonicotinoid insecticides | Co-transport

摘要：+) products in electrochemical CO reduction when compared to | reveal that the lattice strain affects the adsorption | modes of CO and thereby the pathway of C-C coupling | . Importantly, C-C coupling that occurs between CO molecules | with mixed adsorption modes is more favorable, thus

关键词： CO reduction | C-C coupling | Derived copper | IR spectroscopy | Lattice strain | CO2 reduction

摘要：The co-adsorption mechanism of O and Cl on Ti | co-corrosion model of O and Cl on Ti surface under | , adsorption process and atomic bonding interaction of O and | adsorption results are consistent with the observed | interaction between Cl, O and Ti during the co-corrosion

关键词： Titanium | Corrosion | Active oxidation | Surface diffusion | Density functional theory (DFT)

摘要： dispersed Cu_2O can weaken the CO adsorption on the | CC coupling to form C_2 products, *CO intermediate | Copper (Cu) is a promising metal for | electrochemical CO_2 reduction reaction (eCO_2RR) to value-added | C_2 products. However, as the key intermediate for

关键词： C_2 products | carbon dioxide reduction | electrocatalysis | scandium

摘要： alloy promotes CO adsorption and hydrogenation | The selective electrochemical reduction of CO | selectivity of CO-toC2+ products conversion remain low due | interface for the CO reduction reaction (CORR). The CuPd | to valuable multi-carbon (C2 +) products is a key

关键词： CO electroreduction | Heterogeneous interfaces | Asymmetric C-C coupling | Multi-carbon products | Acetate

4008-161-200 800-990-8900

国家科技图书文献中心

摘要： cycle. The thermodynamics of CO adsorption, e.g., the | enthalpy and entropy of CO adsorption* at electrochemical* | from the thermodynamics of CO adsorption* on catalyst* | surfaces, and discusses the factors beyond CO adsorption | CO binding energy, has been proposed and employed

摘要： application prospects in the field of CO adsorption* by* | and CO adsorption,giving valuable suggestions for | CO adsorption* performance of various porous* | classify support types,with excellent CO adsorption | ),achieving accurate predictions of CO adsorption

摘要： reason for the sulfur-carbon co-adsorption* of this* | -carbon co-adsorption. | development of a high-performance sulfur-carbon co | -adsorption* material is essential for the simultaneous* | equivalent CO2 adsorption* capacity to Mg-gallate powder and*

摘要： were applied to elucidate the co-adsorption* mechanism* | dispersion interactions dominate adsorption, contributing | matrices. Adsorption* energies span the range from - 18.32* | Context Density functional theory calculations | of different nanoplastic-neonicotinoid insecticides

摘要：+) products in electrochemical CO reduction when compared to | reveal that the lattice strain affects the adsorption | modes of CO and thereby the pathway of C-C coupling | . Importantly, C-C coupling that occurs between CO molecules | with mixed adsorption* modes is more favorable, thus*

摘要：The co-adsorption* mechanism of O and Cl on Ti* | co-corrosion model of O and Cl on Ti surface under | , adsorption* process and atomic bonding interaction of O and* | adsorption results are consistent with the observed | interaction between Cl, O and Ti during the co-corrosion

摘要： dispersed Cu_2O can weaken the CO adsorption* on the* | CC coupling to form C_2 products, CO intermediate* | Copper (Cu) is a promising metal for | electrochemical CO_2 reduction reaction (eCO_2RR) to value-added | C_2 products. However, as the key intermediate for

摘要： alloy promotes CO adsorption* and hydrogenation* | The selective electrochemical reduction of CO | selectivity of CO-toC2+ products conversion remain low due | interface for the CO reduction reaction (CORR). The CuPd | to valuable multi-carbon (C2 +) products is a key