Special points for Brillouin-zone integrations

Monkhorst, Hendrik J., Pack, James D.·1976·Physical Review B
DOI 10.1103/physrevb.13.5188

Cited by (1,047)

Items 1,001–1,047 of 1,047

  1. CO<sub>2</sub> Electroreduction Performance of Transition Metal Dimers Supported on Graphene: A Theoretical Study
    Li, Yawei, Su, Haibin, Chan, Siew Hwa, Sun, Qiang · 2015 · ACS Catalysis
  2. Weyl semimetals from noncentrosymmetric topological insulators
    Liu, Jianpeng, Vanderbilt, David · 2014 · Physical Review B
  3. Direct time-domain observation of attosecond final-state lifetimes in photoemission from solids
    Tao, Zhensheng, Chen, Cong, Szilvási, Tibor, Keller, Mark, Mavrikakis, Manos, Kapteyn, Henry, Murnane, Margaret · 2016 · Science
  4. Theoretical Investigations of the Oxygen Reduction Reaction on Pt(111)
    Keith, John A., Jerkiewicz, Gregory, Jacob, Timo · 2010 · ChemPhysChem
  5. Intrinsic Selectivity and Structure Sensitivity of Rhodium Catalysts for C<sub>2+</sub> Oxygenate Production
    Yang, Nuoya, Medford, Andrew J., Liu, Xinyan, Studt, Felix, Bligaard, Thomas, Bent, Stacey F., Nørskov, Jens K. · 2016 · Journal of the American Chemical Society
  6. Ordered bilayer ruthenium–platinum core-shell nanoparticles as carbon monoxide-tolerant fuel cell catalysts
    Hsieh, Yu-Chi, Zhang, Yu, Su, Dong, Volkov, Vyacheslav, Si, Rui, Wu, Lijun, Zhu, Yimei, An, Wei, Liu, Ping, He, Ping et al. · 2013 · Nature Communications
  7. Selective Heterogeneous CO<sub>2</sub> Electroreduction to Methanol
    Back, Seoin, Kim, Heejin, Jung, Yousung · 2015 · ACS Catalysis
  8. Terahertz-driven phonon upconversion in SrTiO3
    Kozina, M., Fechner, M., Marsik, P., van Driel, T., Glownia, J. M., Bernhard, C., Radovic, M., Zhu, D., Bonetti, S., Staub, U. et al. · 2019 · Nature Physics
  9. Orbital magnetic moments of phonons
    Juraschek, Dominik M., Spaldin, Nicola A. · 2019 · Physical Review Materials
  10. Hubbard <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>U</mml:mi></mml:math> parameters for transition metals from first principles
    Tesch, Rebekka, Kowalski, Piotr M. · 2022 · Physical Review B
  11. Raman scattering efficiency in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>LiTaO</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>LiNbO</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>crystals
    Sanna, S., Neufeld, S., Rüsing, M., Berth, G., Zrenner, A., Schmidt, W. G. · 2015 · Physical Review B
  12. Reliability of Raman measurements of thermal conductivity of single-layer graphene due to selective electron-phonon coupling: A first-principles study
    Vallabhaneni, Ajit K., Singh, Dhruv, Bao, Hua, Murthy, Jayathi, Ruan, Xiulin · 2016 · Physical Review B
  13. First Principles Peierls-Boltzmann Phonon Thermal Transport: A Topical Review
    Lindsay, Lucas · 2016 · Nanoscale and Microscale Thermophysical Engineering
  14. The Role of Adsorbed CN and Cl on an Au Electrode for Electrochemical CO<sub>2</sub> Reduction
    Cho, Minhyung, Song, Jun Tae, Back, Seoin, Jung, Yousung, Oh, Jihun · 2018 · ACS Catalysis
  15. Embedded-atom-method tantalum potential developed by the force-matching method
    Li, Youhong, Siegel, Donald J., Adams, James B., Liu, Xiang-Yang · 2003 · Physical Review B
  16. Nitrogen: unraveling the secret to stable carbon-supported Pt-alloy electrocatalysts
    Pylypenko, Svitlana, Borisevich, Albina, More, Karren L., Corpuz, April R., Holme, Timothy, Dameron, Arrelaine A., Olson, Tim S., Dinh, Huyen N., Gennett, Thomas, O'Hayre, Ryan · 2013 · Energy &amp; Environmental Science
  17. Effects of nitrogenation on single-walled carbon nanotubes within density functional theory
    Lim, San Hua, Li, Ruijiang, Ji, Wei, Lin, Jianyi · 2007 · Physical Review B
  18. Phase Engineering of a Ruthenium Nanostructure toward High-Performance Bifunctional Hydrogen Catalysis
    Li, Leigang, Liu, Cheng, Liu, Shangheng, Wang, Juan, Han, Jiajia, Chan, Ting-Shan, Li, Youyong, Hu, Zhiwei, Shao, Qi, Zhang, Qiaobao et al. · 2022 · ACS Nano
  19. Structure- and Temperature-Dependence of Pt-Catalyzed Ammonia Oxidation Rates and Selectivities
    Ma, Hanyu, Schneider, William F. · 2019 · ACS Catalysis
  20. Role of Subsurface Oxygen on Cu Surfaces for CO<sub>2</sub> Electrochemical Reduction
    Fields, Meredith, Hong, Xin, Nørskov, Jens K., Chan, Karen · 2018 · The Journal of Physical Chemistry C
  21. Theoretical Study of Electrochemical Processes on Pt–Ni Alloys
    Matanović, Ivana, Garzon, Fernando H., Henson, Neil J. · 2011 · The Journal of Physical Chemistry C
  22. The accessibility of nitrogen sites makes a difference in selective CO <sub>2</sub> adsorption of a family of isostructural metal–organic frameworks
    Song, Chengling, Hu, Jiayi, Ling, Yajing, Feng, YunLong, Krishna, Rajamani, Chen, De-li, He, Yabing · 2015 · Journal of Materials Chemistry A
  23. Hydrogen Evolution Reaction Activity of Heterogeneous Materials: A Theoretical Model
    Ekspong, Joakim, Gracia-Espino, Eduardo, Wågberg, Thomas · 2020 · The Journal of Physical Chemistry C
  24. Ab Initio Thermodynamic Model for Magnesium Carbonates and Hydrates
    Chaka, Anne M., Felmy, Andrew R. · 2014 · The Journal of Physical Chemistry A
  25. Lattice anharmonicity, phonon dispersion, and thermal conductivity of PbTe studied by the phonon quasiparticle approach
    Lu, Yong, Sun, Tao, Zhang, Dong-Bo · 2018 · Physical Review B
  26. First-principles thermodynamic description of hydrogen electroadsorption on the Pt(111) surface
    Hanh, Tran Thi Thu, Takimoto, Yoshinari, Sugino, Osamu · 2014 · Surface Science
  27. Overpotential for CO <sub>2</sub> electroreduction lowered on strained penta-twinned Cu nanowires
    Chen, Zhengzheng, Zhang, Xu, Lu, Gang · 2015 · Chemical Science
  28. Comprehensive Density Functional Theory Studies of Vibrational Spectra of Carbonates
    Zhuravlev, Yurii N., Atuchin, Victor V. · 2020 · Nanomaterials
  29. First-principle prediction of half-metallic ferrimagnetism in Mn-based full-Heusler alloys with highly ordered structure
    Zenasni, H., Faraoun, H.I., Esling, C. · 2013 · Journal of Magnetism and Magnetic Materials
  30. Electrothermal mineralization of per- and polyfluoroalkyl substances for soil remediation
    Cheng, Yi, Deng, Bing, Scotland, Phelecia, Eddy, Lucas, Hassan, Arman, Wang, Bo, Silva, Karla J., Li, Bowen, Wyss, Kevin M., Ucak-Astarlioglu, Mine G. et al. · 2024 · Nature Communications
  31. Observation of a two-dimensional Fermi surface and Dirac dispersion in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>YbMnSb</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:math>
    Kealhofer, Robert, Jang, Sooyoung, Griffin, Sinéad M., John, Caolan, Benavides, Katherine A., Doyle, Spencer, Helm, T., Moll, Philip J. W., Neaton, Jeffrey B., Chan, Julia Y. et al. · 2018 · Physical Review B
  32. Potential Shift for OH(ads) Formation on the Pt Skin on Pt[sub 3]Co(111) Electrodes in Acid
    Roques, Jéro^me, Anderson, Alfred B., Murthi, Vivek S., Mukerjee, Sanjeev · 2005 · Journal of The Electrochemical Society
  33. In-situ atomic tracking of intermetallic compound formation during thermal annealing
    Han, Xiao, Zhou, Yanan, Tai, Xiaolin, Wu, Geng, Chen, Cai, Hong, Xun, Tong, Lei, Xu, Fangfang, Liang, Hai-Wei, Lin, Yue · 2024 · Nature Communications
  34. High-bandwidth perovskite photonic sources on silicon
    Ren, Aobo, Wang, Hao, Dai, Linjie, Xia, Junfei, Bai, Xinyu, Butler-Caddle, Edward, Smith, Joel A., Lai, Huagui, Ye, Junzhi, Li, Xiang et al. · 2023 · Nature Photonics
  35. In situ imaging of amorphous intermediates during brucite carbonation in supercritical CO2
    Zhang, Xin, Lea, Alan S., Chaka, Anne M., Loring, John S., Mergelsberg, Sebastian T., Nakouzi, Elias, Qafoku, Odeta, De Yoreo, James J., Schaef, Herbert T., Rosso, Kevin M. · 2022 · Nature Materials
  36. High-efficiency electrochemical ammonia synthesis at co-catalytic Fe–Mo dual-atom sites
    Li, Ruonan, Ma, Runlin, Zhang, Li-Li, Ma, Wei, Shao, Gonglei, Zhang, Xu, Tian, Yun, Jiao, Menggai, Zhou, Zhen · 2025 · ACS Nano
  37. Proton‐Coupled Electron Transfer on Cu <sub>2</sub> O/Ti <sub>3</sub> C <sub>2</sub> T <sub>x</sub> MXene for Propane (C <sub>3</sub> H <sub>8</sub> ) Synthesis from Electrochemical CO <sub>2</sub> Reduction
    Kim, Jun Young, Hong, Won Tae, Phu, Thi Kim Cuong, Cho, Seong Chan, Kim, Byeongkyu, Baeck, Unbeom, Oh, Hyung‐Suk, Koh, Jai Hyun, Yu, Xu, Choi, Chang Hyuck et al. · 2024 · Advanced Science
  38. Generalized convex hull construction for materials discovery
    Anelli, Andrea, Engel, Edgar A., Pickard, Chris J., Ceriotti, Michele · 2018 · Physical Review Materials
  39. Can an element form a two-dimensional nanosheet of type 15 pentagons?
    Liu, Lei, Kankam, Immanuella, Zhuang, Houlong L. · 2018 · Computational Materials Science
  40. High-pressure compressibility and vibrational properties of (Ca,Mn)CO <sub>3</sub>
    Liu, Jin, Caracas, Razvan, Fan, Dawei, Bobocioiu, Ema, Zhang, Dongzhou, Mao, Wendy L. · 2016 · American Mineralogist
  41. Early Stage Hydration of Wollastonite: Kinetic Aspects of the Metal-Proton Exchange Reaction
    Giraudo, Nicolas, Krolla-Sidenstein, Peter, Bergdolt, Samuel, Heinle, Marita, Gliemann, Hartmut, Messerschmidt, Florian, Brüner, Philipp, Thissen, Peter · 2015 · The Journal of Physical Chemistry C
  42. Thermodynamic and Elastic Properties of Magnesite at Mantle Conditions: First-Principles Calculations
    Yao, Chao, Wu, Zhongqing, Zou, Fan, Sun, Weidong · 2018 · Geochemistry, Geophysics, Geosystems
  43. Performance of Metal-Catalyzed Hydrodebromination of Dibromomethane Analyzed by Descriptors Derived from Statistical Learning
    Saadun, A. J., Pablo-García, S., Paunović, V., Li, Q., Sabadell-Rendón, A., Kleemann, K., Krumeich, F., López, N., Pérez-Ramírez, J. · 2020 · ACS Catalysis
  44. Selective Adsorption of CO <sub>2</sub> over N <sub>2</sub> on Graphene: Insights from First-Principles Calculations
    Faghihnasiri, Mahdi, Branicio, Paulo S. · 2025 · The Journal of Physical Chemistry C
  45. Data-driven analysis of the electronic-structure factors controlling the work functions of perovskite oxides
    Xiong, Yihuang, Chen, Weinan, Guo, Wenbo, Wei, Hua, Dabo, Ismaila · 2021 · Physical Chemistry Chemical Physics
  46. Ligand-confined two-dimensional rhodium hydride boosts hydrogen evolution
    Fan, Jinchang, Zhang, Yunlong, Liu, Wei, Li, Mingrun, Cai, Yafeng, Ji, Qinqin, Zhao, Zhenchao, Hou, Guangjin, Li, Aowen, Zhou, Wu et al. · 2023 · Matter
  47. Vibrational response of strontianite at high pressures and high temperatures and construction of P–T phase diagram
    Efthimiopoulos, I., Müller, J., Winkler, B., Otzen, C., Harms, M., Schade, U., Koch-Müller, M. · 2019 · Physics and Chemistry of Minerals