延斯·K.内斯科乌（Jens K. N?rskov）硕士毕业于丹麦奥胡斯大学(Aarhus University)物理化学专业，并于同校获理论物理博士。1987年-2010年，任教于丹麦科技大学。2010年-2018年，受聘于斯坦福大学化工系，并担任斯坦福大学界面科学与催化中心(SUNCAT)主任。2018年7月起，N?rskov教授重回丹麦科技大学物理系。Jens K. N?rskov教授是计算化学领域的领军人物，主要从事催化基础理论的相关研究，主要研究方向包括表面化学、异相催化、光电催化等。
目錄：
Preface xi
1 Surface Structure 1
1 Why surface structure 1
2 Methods of surface adsorbate structure determination 2
3 Adsorbate-induced surface reconstruction 11
4 Molecular adsorbates – local sites， orientations and intramolecular bondlengths 19
5 Chemisorption bondlengths 38
6 Conclusions 48
2 Adsorbate Electronic Structure and Bonding on Metal Surfaces 57
1 Introduction 57
2 Probing the electronic structure 58
3 Adsorbate electronic structure and chemical bonding 63
4 Adsorbate systems 68
5 Radical atomic adsorption 69
6 Diatomic molecules 79
7 Unsaturated hydrocarbons 103
8 Saturated hydrocarbons 119
9 Lone pair interactions 127
10 Summary 134
3 The Dynamics of Making and Breaking Bonds at Surfaces 143
1 Introduction 143
2 Theoretical background 146
3 Experimental background 172
4 Processes 182
5 Summary and outlook 242
4 Heterogeneous Catalysis 255
1 Introduction 255
2 Factors determining the reactivity of a transition metal surface 256
3 Trends in adsorption energies on transition metal surfaces 257
4 The d-band model 259
5 Trends in chemisorption energies 267
6 Trends in activation energies for surface reactions 278
7 Br?nsted-Evans-Polanyi relationships in heterogeneous catalysis 283
8 Activation barriers and rates 287
9 Variations in catalytic rates – volcano relations 297
10 The optimization and design of catalyst through modeling 312
11 Conclusions and outlook 316
5 Semiconductor Surface Chemistry 323
1 Introduction 323
2 Structure of semiconductor surfaces 325
3 Surface oxidation 331
4 Passivation of semiconductor surfaces 334
5 Reactions at passivated semiconductor surfaces 339
6 Adsorption of organic molecules under vacuum conditions 351
6 Surface Electrochemistry 397
1 Introduction 397
2 Special features of electrochemical reactions 398
3 Electrochemistry at the molecular scale 412
4 Electrocatalytic reaction processes 418
5 Summary and outlook 448
7 Geochemistry of Mineral Surfaces and Factors Affecting Their Chemical Reactivity 457
1 Introduction 457
2 Environmental interfaces 461
3 Factors affecting the chemical reactivity of mineral surfaces 478
4 Conclusions 504
Index 511
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