On the underlayer and overlayer adsorption of nitrogen on low-index iron surfaces

Adsorbate-Induced Restructuring of the Fe(100) Surface: Model Cluster Studies

“…Previous more precise data obtained from LEED intensity analysis, as well as theoretical consideration confirm the locations of oxygen [15][16][17][18] and nitrogen [14][15][16][17][18][19][20][21][22][23][24][25][26][27][28][29][30] atoms. The EHT calculations performed in this study show full accordance in the case of oxygen adsorption.…”

“…EHT calculations show that a hollow in the non-reconstructed Fe(111) surface is the most preferential site for oxygen adsorption. For nitrogen or carbon, a hollow under the iron atom is preferred [20,21]. In this paper, we are trying to interpret and discuss by means of the EHT method the surface reconstuction exemplified by the adsorption of oxygen, nitrogen, or carbon on the iron (100) surface.…”

A study of iron catalyst for ammonia synthesis by electron spectroscopy methods

“…As early as in 1970s researchers started conducting investigations on clean surfaces of iron single crystals . Studies on nitrogen adsorption on such surfaces demonstrated that molecular nitrogen with difficulty bonds to iron surface [21,23,26,27,[31][32][33][34][35][36][37] and that its molecules' dissociation was considered to be the limiting step of the whole process of ammonia synthesis [38]. Studies on the behavior of potassium atoms on iron surface revealed that its atoms easily desorb from these surfaces at temperatures above 200 o C. Consequently, in typical temperatures of conducting ammonia synthesis potassium should be removed from the catalyst, which was not observed [39][40][41][42][43].…”