個人簡介
2010年本科畢業(yè)于華東理工大學(xué)應(yīng)用化學(xué)專業(yè)，獲工學(xué)學(xué)士學(xué)位；2013年博士畢業(yè)于英國貝爾法斯特女王大學(xué)物理化學(xué)專業(yè)，導(dǎo)師為Christopher Hardacre教授與Peijun Hu教授。后于2013年至2015年在斯坦福大學(xué)化學(xué)工程系與直線加速器國家實(shí)驗(yàn)室（SLAC）的SUNCAT界面科學(xué)與催化研究中心從事博士后研究工作，合作導(dǎo)師為Jens N?rskov教授與Thomas Bligaard研究員。獲得了由英國工程與自然科學(xué)研究理事會（EPSRC）和Johnson Matthey公司聯(lián)合頒發(fā)的Dorothy Hodgkin Postgraduate Awards，由歐洲催化學(xué)會聯(lián)合會（EFCATS）頒發(fā)的EFCATS PhD Student Award，以及由愛爾蘭皇家科學(xué)院頒發(fā)的Royal Irish Academy Young Chemistu2019s Prize等獎項(xiàng)。
研究內(nèi)容
包括多相催化，表面化學(xué)，計(jì)算化學(xué)和催化材料設(shè)計(jì)等方面，目前主要專注于解決可再生能源利用與環(huán)境保護(hù)過程中的催化問題。運(yùn)用密度泛函理論（Density Functional Theory）計(jì)算手段對催化劑表面的化學(xué)反應(yīng)機(jī)理及反應(yīng)活性物種進(jìn)行熱力學(xué)與動力學(xué)分析，同時運(yùn)用Bayesian誤差分析的手段對計(jì)算所得結(jié)果進(jìn)行可靠性分析，目標(biāo)是運(yùn)用理論計(jì)算的方法篩選與設(shè)計(jì)出理想的催化材料與催化活性位，并指導(dǎo)后續(xù)的催化劑的制備，表征與測試。
代表論文
B. Yang, R. Burch, C. Hardacre, G. Headdock, and P. Hu, Understanding the Optimal Adsorption Energies for Catalyst Screening in Heterogeneous Catalysis, ACS Catal., 2014, 4, 182-186
B. Yang, R. Burch, C. Hardacre, P. Hu and P. Hughes, Mechanistic Study of 1, 3-Butadiene Formation in Acetylene Hydrogenation over the Pd-Based Catalysts Using Density Functional Calculations, J. Phys. Chem. C, 2014, 118, 1560-1567
B. Yang, R. Burch, C. Hardacre, P. Hu and P. Hughes, Selective Hydrogenation of Acetylene over Pd-Boron Catalysts: A Density Functional Study, J. Phys. Chem. C, 2014, 118, 3664-3671
B. Yang, X.-Q. Gong, H.-F. Wang, X.-M. Cao, J. Rooney and P. Hu, Evidence to Challenge the Universality of the Horiuti-Polanyi Mechanism for Hydrogenation in Heterogeneous Catalysis: Origin and Trend of the Preference of a Non-Horiuti-Polanyi Mechanism, J. Am. Chem. Soc., 2013, 135, 15244-15250 (Highlighted by Nature China, Catalysis: A new way to bind)
B. Yang, R. Burch, C. Hardacre, G. Headdock, and P. Hu, Influence of Surface Structures, Subsurface Carbon and Hydrogen and Surface Alloying on the Activity and Selectivity of Acetylene Hydrogenation on Pd Surfaces: a Density Functional Theory Study, J. Catal., 2013, 305, 264-276
B. Yang, R. Burch, C. Hardacre, G. Headdock, and P. Hu, Origin of the Increase of Activity and Selectivity of Nickel Doped by Au, Ag, and Cu for Acetylene Hydrogenation, ACS Catal., 2012, 2, 1027-1032
